5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

C22H29NO — CID 135009225

IUPAC5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCc1cccc(C2(O)CC(C)CCC2C(C)(C)c2ccccc2)n1
InChIInChI=1S/C22H29NO/c1-16-13-14-19(21(3,4)18-10-6-5-7-11-18)22(24,15-16)20-12-8-9-17(2)23-20/h5-12,16,19,24H,13-15H2,1-4H3
InChIKeyMHHNVPKSCCYHTQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.99
Rot. Bonds3

About 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (PubChem CID 135009225) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
PubChem CID135009225
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCc1cccc(C2(O)CC(C)CCC2C(C)(C)c2ccccc2)n1
InChIInChI=1S/C22H29NO/c1-16-13-14-19(21(3,4)18-10-6-5-7-11-18)22(24,15-16)20-12-8-9-17(2)23-20/h5-12,16,19,24H,13-15H2,1-4H3
InChIKeyMHHNVPKSCCYHTQ-UHFFFAOYSA-N
XLogP4.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
(3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol
CID 9882188
2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
2-(6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyrid-2-yl)-1-(4-methylphenyl)ethanol
CID 10039384
(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
CID 10355630
1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-phenylmethanol
CID 10378303
1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
CID 10402261
Hydroxymuscopyridine A
CID 184938
Hydroxymuscopyridine B
CID 184939
1,1'-(Pyridine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94052
2,6-Bis(dibenzylhydroxymethyl)piperidines
CID 94053

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (CID 135009225) is 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is Cc1cccc(C2(O)CC(C)CCC2C(C)(C)c2ccccc2)n1.
What is the InChIKey of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The InChIKey is MHHNVPKSCCYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-16-13-14-19(21(3,4)18-10-6-5-7-11-18)22(24,15-16)20-12-8-9-17(2)23-20/h5-12,16,19,24H,13-15H2,1-4H3.
What are the key properties of 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol has a molecular weight of 323.48 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-methyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 135009225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).