3690-0142 Screening compound: 2-[(piperidin-1-yl)methyl]phenol

3690-0142 Screening compound: 2-[(piperidin-1-yl)methyl]phenol
3690-0142 Screening compound: 2-[(piperidin-1-yl)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3690-0142
2-[(piperidin-1-yl)methyl]phenol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3690-0142

Molecular Formula

C12H17NO (C12 H17 NO)

Compound Name

2-[(piperidin-1-yl)methyl]phenol

IUPAC name

2-[(piperidin-1-yl)methyl]phenol

SMILES

Oc1c(CN2CCCCC2)cccc1

InChI

InChI=1S/C12H17NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-10H2

InChI Key

FTKQHXNOTYHHLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

0.978

Water Solubility, LogSw

-1.87

Polar Surface Area

20.519

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3690-0142 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 3690-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3690-0142?
Check Price and Availability of 3690-0142, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3690-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3690-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3690-0142
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3690-0142 available by request