4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol

C13H19NO2 — CID 83855822

IUPAC4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
SMILESCN1CCCC(C(O)c2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO2/c1-14-8-2-3-11(9-14)13(16)10-4-6-12(15)7-5-10/h4-7,11,13,15-16H,2-3,8-9H2,1H3
InChIKeyHCVLSYIRMVLGJL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds2

About 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol

4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol (PubChem CID 83855822) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
PubChem CID83855822
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
SMILESCN1CCCC(C(O)c2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO2/c1-14-8-2-3-11(9-14)13(16)10-4-6-12(15)7-5-10/h4-7,11,13,15-16H,2-3,8-9H2,1H3
InChIKeyHCVLSYIRMVLGJL-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol 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

(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
3-[hydroxy-(1-methylpiperidin-3-yl)methyl]benzoic acid
CID 83856040
[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040388
4-[amino-(1-methylpiperidin-3-yl)methyl]aniline
CID 116936840
[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040399
3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
CID 105495145
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
CID 58042206
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol?
The IUPAC name of 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol (CID 83855822) is 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol?
The canonical SMILES for 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol is CN1CCCC(C(O)c2ccc(O)cc2)C1.
What is the InChIKey of 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol?
The InChIKey is HCVLSYIRMVLGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-8-2-3-11(9-14)13(16)10-4-6-12(15)7-5-10/h4-7,11,13,15-16H,2-3,8-9H2,1H3.
What are the key properties of 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol?
4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol is sourced from PubChem (CID 83855822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).