2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone

C14H19NO — CID 106754594

IUPAC2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)CC2CCCCC2)ccn1
InChIInChI=1S/C14H19NO/c1-11-9-13(7-8-15-11)14(16)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyNZCIREHDXIOBLT-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.54
Rot. Bonds3

About 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone

2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone (PubChem CID 106754594) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
PubChem CID106754594
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)CC2CCCCC2)ccn1
InChIInChI=1S/C14H19NO/c1-11-9-13(7-8-15-11)14(16)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyNZCIREHDXIOBLT-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2-methyl-4-pyridinyl)butan-2-one
CID 21278981
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529765
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone
CID 105089049
2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide
CID 58328231
1-(2-methyl-4-pyridinyl)but-3-yn-1-one
CID 106754540
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone (CID 106754594) is 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone is Cc1cc(C(=O)CC2CCCCC2)ccn1.
What is the InChIKey of 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone?
The InChIKey is NZCIREHDXIOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-9-13(7-8-15-11)14(16)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone?
2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone is sourced from PubChem (CID 106754594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).