1-[(3-methylphenyl)methyl]piperidin-3-ol

C13H19NO — CID 23792038

IUPAC1-[(3-methylphenyl)methyl]piperidin-3-ol
SMILESCc1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C13H19NO/c1-11-4-2-5-12(8-11)9-14-7-3-6-13(15)10-14/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyIEQVIRPBXZULDT-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]piperidin-3-ol

1-[(3-methylphenyl)methyl]piperidin-3-ol (PubChem CID 23792038) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]piperidin-3-ol
PubChem CID23792038
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[(3-methylphenyl)methyl]piperidin-3-ol
SMILESCc1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C13H19NO/c1-11-4-2-5-12(8-11)9-14-7-3-6-13(15)10-14/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyIEQVIRPBXZULDT-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methylphenyl)methyl]piperidin-3-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

(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
1-[1-[(3-methylphenyl)methyl]piperidin-3-yl]butan-1-one
CID 83982657
(3R)-1-benzylazepan-3-ol
CID 124585423
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-methylphenyl)methyl]piperidin-3-ol (CID 23792038) is 1-[(3-methylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-methylphenyl)methyl]piperidin-3-ol is Cc1cccc(CN2CCCC(O)C2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]piperidin-3-ol?
The InChIKey is IEQVIRPBXZULDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-2-5-12(8-11)9-14-7-3-6-13(15)10-14/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]piperidin-3-ol?
1-[(3-methylphenyl)methyl]piperidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 23792038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).