2-[4-(hydroxymethyl)piperidin-3-yl]phenol

C12H17NO2 — CID 117168009

IUPAC2-[4-(hydroxymethyl)piperidin-3-yl]phenol
SMILESOCC1CCNCC1c1ccccc1O
InChIInChI=1S/C12H17NO2/c14-8-9-5-6-13-7-11(9)10-3-1-2-4-12(10)15/h1-4,9,11,13-15H,5-8H2
InChIKeyGZPCJCUZNRUHBO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.08
Rot. Bonds2

About 2-[4-(hydroxymethyl)piperidin-3-yl]phenol

2-[4-(hydroxymethyl)piperidin-3-yl]phenol (PubChem CID 117168009) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-3-yl]phenol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-3-yl]phenol
PubChem CID117168009
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[4-(hydroxymethyl)piperidin-3-yl]phenol
SMILESOCC1CCNCC1c1ccccc1O
InChIInChI=1S/C12H17NO2/c14-8-9-5-6-13-7-11(9)10-3-1-2-4-12(10)15/h1-4,9,11,13-15H,5-8H2
InChIKeyGZPCJCUZNRUHBO-UHFFFAOYSA-N
XLogP1.08
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-(hydroxymethyl)piperidin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-3-yl]phenol?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-3-yl]phenol (CID 117168009) is 2-[4-(hydroxymethyl)piperidin-3-yl]phenol.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-3-yl]phenol?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-3-yl]phenol is OCC1CCNCC1c1ccccc1O.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-3-yl]phenol?
The InChIKey is GZPCJCUZNRUHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-9-5-6-13-7-11(9)10-3-1-2-4-12(10)15/h1-4,9,11,13-15H,5-8H2.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-3-yl]phenol?
2-[4-(hydroxymethyl)piperidin-3-yl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-3-yl]phenol is sourced from PubChem (CID 117168009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).