2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C16H29NO — CID 155469719

IUPAC2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)15-8-10-17(11-9-15)16(18)12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyDJBKEAUMCUZPIS-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.85
Rot. Bonds3

About 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 155469719) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID155469719
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)15-8-10-17(11-9-15)16(18)12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyDJBKEAUMCUZPIS-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1-bromoethyl)piperidin-1-yl]-2-cycloheptylethanone
CID 106839467
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537559
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-morpholin-4-yl-2-(4-propan-2-ylcyclohexyl)ethanone
CID 58394969
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
2-(1-aminocyclohexyl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103495472
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 155469719) is 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is DJBKEAUMCUZPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)15-8-10-17(11-9-15)16(18)12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 251.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 155469719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).