2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol

C18H21NO — CID 104735628

IUPAC2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
SMILESOC1(Cc2cccnc2)CCCCC1c1ccccc1
InChIInChI=1S/C18H21NO/c20-18(13-15-7-6-12-19-14-15)11-5-4-10-17(18)16-8-2-1-3-9-16/h1-3,6-9,12,14,17,20H,4-5,10-11,13H2
InChIKeyVLSMWGAXWGJQKF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.71
Rot. Bonds3

About 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol

2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol (PubChem CID 104735628) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
PubChem CID104735628
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
SMILESOC1(Cc2cccnc2)CCCCC1c1ccccc1
InChIInChI=1S/C18H21NO/c20-18(13-15-7-6-12-19-14-15)11-5-4-10-17(18)16-8-2-1-3-9-16/h1-3,6-9,12,14,17,20H,4-5,10-11,13H2
InChIKeyVLSMWGAXWGJQKF-UHFFFAOYSA-N
XLogP3.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-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

1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
CID 104801472
2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735626
8-(pyridin-3-ylmethyl)spiro[4.5]decan-8-ol
CID 114819218
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60798196
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432
2-methyl-1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 114990010
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 162146330
3-(pyridin-3-ylmethyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171959402
9-oxo-3-(pyridin-3-ylmethyl)-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171959412

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol (CID 104735628) is 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol is OC1(Cc2cccnc2)CCCCC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
The InChIKey is VLSMWGAXWGJQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(13-15-7-6-12-19-14-15)11-5-4-10-17(18)16-8-2-1-3-9-16/h1-3,6-9,12,14,17,20H,4-5,10-11,13H2.
What are the key properties of 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol?
2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 104735628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).