1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol

C16H25NO — CID 105103145

IUPAC1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol
SMILESCC1CCC(C(O)CCc2ccccn2)CC1C
InChIInChI=1S/C16H25NO/c1-12-6-7-14(11-13(12)2)16(18)9-8-15-5-3-4-10-17-15/h3-5,10,12-14,16,18H,6-9,11H2,1-2H3
InChIKeyUNRFQJFDHQXRHM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.45
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol

1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol (PubChem CID 105103145) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol
PubChem CID105103145
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol
SMILESCC1CCC(C(O)CCc2ccccn2)CC1C
InChIInChI=1S/C16H25NO/c1-12-6-7-14(11-13(12)2)16(18)9-8-15-5-3-4-10-17-15/h3-5,10,12-14,16,18H,6-9,11H2,1-2H3
InChIKeyUNRFQJFDHQXRHM-UHFFFAOYSA-N
XLogP3.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol
CID 79436464
4-methyl-2-(2-pyridin-2-ylethyl)cyclohexan-1-ol
CID 79423318
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
1-(4-ethylcyclohexyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105155309
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
1-(3,4-dimethylcyclohexyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66053257
1-cyclopentyl-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105081102
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
CID 102788197
(1-cyclobutyl-3-pyridin-2-ylpropyl)hydrazine
CID 105340146

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol (CID 105103145) is 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol is CC1CCC(C(O)CCc2ccccn2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol?
The InChIKey is UNRFQJFDHQXRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-7-14(11-13(12)2)16(18)9-8-15-5-3-4-10-17-15/h3-5,10,12-14,16,18H,6-9,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol?
1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 105103145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).