1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol

C16H25NO — CID 79746151

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C)C(C)C2)nc1
InChIInChI=1S/C16H25NO/c1-4-14-5-6-15(17-11-14)10-16(18)8-7-12(2)13(3)9-16/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyWCMUZQYZMQPBSF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds3

About 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol

1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol (PubChem CID 79746151) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol
PubChem CID79746151
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C)C(C)C2)nc1
InChIInChI=1S/C16H25NO/c1-4-14-5-6-15(17-11-14)10-16(18)8-7-12(2)13(3)9-16/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyWCMUZQYZMQPBSF-UHFFFAOYSA-N
XLogP3.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-ethyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 79745461
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 79740612
4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79740383
4-(ethylamino)-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79738887
1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79740505
1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999401
1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314333
1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65479093
4-[(5-ethyl-2-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 79739884
3,4-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65154218
3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
CID 112567654
1-[(5-ethyl-2-pyridinyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 79745795

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol (CID 79746151) is 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol is CCc1ccc(CC2(O)CCC(C)C(C)C2)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The InChIKey is WCMUZQYZMQPBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14-5-6-15(17-11-14)10-16(18)8-7-12(2)13(3)9-16/h5-6,11-13,18H,4,7-10H2,1-3H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol?
1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79746151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).