1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol

C15H23NO — CID 79740505

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
SMILESCCc1ccc(CC2(O)CCCCCC2)nc1
InChIInChI=1S/C15H23NO/c1-2-13-7-8-14(16-12-13)11-15(17)9-5-3-4-6-10-15/h7-8,12,17H,2-6,9-11H2,1H3
InChIKeyHIBLSSVBYOFMKQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.27
Rot. Bonds3

About 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol

1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol (PubChem CID 79740505) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
PubChem CID79740505
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
SMILESCCc1ccc(CC2(O)CCCCCC2)nc1
InChIInChI=1S/C15H23NO/c1-2-13-7-8-14(16-12-13)11-15(17)9-5-3-4-6-10-15/h7-8,12,17H,2-6,9-11H2,1H3
InChIKeyHIBLSSVBYOFMKQ-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(5-ethyl-2-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 79739884
1-[(5-ethyl-2-pyridinyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999401
4-(ethylamino)-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79738887
1-[(5-ethyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 79745461
1-[(5-ethyl-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 79746151
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
1-[(5-ethyl-2-pyridinyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 79745795
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-[(5-ethyl-2-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314333
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclohexyl)ethanamine
CID 106830386

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol (CID 79740505) is 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol is CCc1ccc(CC2(O)CCCCCC2)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol?
The InChIKey is HIBLSSVBYOFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-13-7-8-14(16-12-13)11-15(17)9-5-3-4-6-10-15/h7-8,12,17H,2-6,9-11H2,1H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol?
1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.27, 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]cycloheptan-1-ol is sourced from PubChem (CID 79740505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).