1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone

C14H25NO — CID 23388550

IUPAC1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C2CCCCC2)CCN(C)CC1
InChIInChI=1S/C14H25NO/c1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13/h13H,3-11H2,1-2H3
InChIKeyLDKVQZJUUHGVOA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone

1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone (PubChem CID 23388550) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone
PubChem CID23388550
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C2CCCCC2)CCN(C)CC1
InChIInChI=1S/C14H25NO/c1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13/h13H,3-11H2,1-2H3
InChIKeyLDKVQZJUUHGVOA-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-((Dimethylamino)methyl)-6-(1-piperidinylmethyl)cyclohexanone
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[5-Fluoro-2-(propan-2-yl)cyclohexyl](1-methylpiperidin-4-yl)methanone
CID 58539895
(1-Tert-butyl-4,4-dimethylpiperidin-3-yl)-(2,6-difluorocyclohexyl)methanone
CID 129181423
2,2-Dimethyl-1-piperidin-1-ylspiro[3.5]nonan-3-one
CID 314357
Cyclohexanone, 2-dimethylaminomethyl-4-(1,1-dimethylethyl)-
CID 547095
1-(1-Methyl-3-piperidinyl)acetone
CID 15113774
2-Methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one
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1-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 102008576
(8aR)-2-methyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one
CID 134844242

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone (CID 23388550) is 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone is CC(=O)C1(C2CCCCC2)CCN(C)CC1.
What is the InChIKey of 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone?
The InChIKey is LDKVQZJUUHGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13/h13H,3-11H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone?
1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 23388550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).