3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol

C13H19NO2 — CID 114451747

IUPAC3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
SMILESOCc1ccc(CC2CNCCC2O)cc1
InChIInChI=1S/C13H19NO2/c15-9-11-3-1-10(2-4-11)7-12-8-14-6-5-13(12)16/h1-4,12-16H,5-9H2
InChIKeyNIIKIRVVMVUMCN-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.69
Rot. Bonds3

About 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol

3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 114451747) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
PubChem CID114451747
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
SMILESOCc1ccc(CC2CNCCC2O)cc1
InChIInChI=1S/C13H19NO2/c15-9-11-3-1-10(2-4-11)7-12-8-14-6-5-13(12)16/h1-4,12-16H,5-9H2
InChIKeyNIIKIRVVMVUMCN-UHFFFAOYSA-N
XLogP0.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-4-ol
CID 146286067
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
4-[(4-bromophenyl)methyl]piperidin-3-ol
CID 115005416
4-[(4-aminopiperidin-3-yl)methyl]phenol
CID 84779211
4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 84664828
3-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ol
CID 102878520
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
3-[(3-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451957
3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451849
(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
CID 129393768
4-methoxy-3-[(4-methylphenyl)methyl]piperidine
CID 84735199
3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-ol
CID 114451732

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol (CID 114451747) is 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol is OCc1ccc(CC2CNCCC2O)cc1.
What is the InChIKey of 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is NIIKIRVVMVUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-9-11-3-1-10(2-4-11)7-12-8-14-6-5-13(12)16/h1-4,12-16H,5-9H2.
What are the key properties of 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol?
3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 221.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 114451747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).