1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one

C17H31NO — CID 79045904

IUPAC1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC1CCC(C(=O)C(C)(C)N2CCCCC2)CC1C
InChIInChI=1S/C17H31NO/c1-13-8-9-15(12-14(13)2)16(19)17(3,4)18-10-6-5-7-11-18/h13-15H,5-12H2,1-4H3
InChIKeyKCWFPPPJEWOTAD-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one

1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one (PubChem CID 79045904) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
PubChem CID79045904
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC1CCC(C(=O)C(C)(C)N2CCCCC2)CC1C
InChIInChI=1S/C17H31NO/c1-13-8-9-15(12-14(13)2)16(19)17(3,4)18-10-6-5-7-11-18/h13-15H,5-12H2,1-4H3
InChIKeyKCWFPPPJEWOTAD-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056596
2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056853
2-(azepan-1-yl)-1-cycloheptyl-2-methylpropan-1-one
CID 82931395
1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045000
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoroethanone
CID 64738824
2-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056188
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
tert-butyl (1S)-3,4-dimethylcyclohexane-1-carboxylate
CID 118389091
1-cyclohexyl-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599107
cyclopentyl-(3,4-dimethylcyclohexyl)methanone
CID 64739226
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
1-(3,4-dimethylcyclohexyl)-2-methoxy-2-methylbutan-1-one
CID 116746737

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one (CID 79045904) is 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one is CC1CCC(C(=O)C(C)(C)N2CCCCC2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is KCWFPPPJEWOTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13-8-9-15(12-14(13)2)16(19)17(3,4)18-10-6-5-7-11-18/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79045904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).