2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one

C19H33NO — CID 79536574

IUPAC2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one
SMILESCC1CCC(N2CCCCC2C2CCCCC2=O)CC1C
InChIInChI=1S/C19H33NO/c1-14-10-11-16(13-15(14)2)20-12-6-5-8-18(20)17-7-3-4-9-19(17)21/h14-18H,3-13H2,1-2H3
InChIKeyGPWRLSXUMDCAFZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.42
Rot. Bonds2

About 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79536574) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79536574
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one
SMILESCC1CCC(N2CCCCC2C2CCCCC2=O)CC1C
InChIInChI=1S/C19H33NO/c1-14-10-11-16(13-15(14)2)20-12-6-5-8-18(20)17-7-3-4-9-19(17)21/h14-18H,3-13H2,1-2H3
InChIKeyGPWRLSXUMDCAFZ-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one (CID 79536574) is 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one is CC1CCC(N2CCCCC2C2CCCCC2=O)CC1C.
What is the InChIKey of 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is GPWRLSXUMDCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14-10-11-16(13-15(14)2)20-12-6-5-8-18(20)17-7-3-4-9-19(17)21/h14-18H,3-13H2,1-2H3.
What are the key properties of 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 291.48 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79536574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).