1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one

C13H21NO — CID 79406491

IUPAC1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(C2CC=CCC2)C1C
InChIInChI=1S/C13H21NO/c1-10-11(2)14(9-8-13(10)15)12-6-4-3-5-7-12/h3-4,10-12H,5-9H2,1-2H3
InChIKeyMJPMPJWPSNJMMS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds1

About 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one

1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one (PubChem CID 79406491) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one
PubChem CID79406491
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(C2CC=CCC2)C1C
InChIInChI=1S/C13H21NO/c1-10-11(2)14(9-8-13(10)15)12-6-4-3-5-7-12/h3-4,10-12H,5-9H2,1-2H3
InChIKeyMJPMPJWPSNJMMS-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

AI 3-37220
CID 90567
SS-220
CID 40579125
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CID 60021033
1-(4-Fluoro-4-piperidin-1-ylcyclohexa-2,5-dien-1-yl)butan-1-one
CID 70567034
3-Allyl-1-methyl-4-piperidone
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1-(3-Oxo-5-methyl-4-hexen-1-yl)-2,5-dimethyl-4-piperidone
CID 129790928
1-(2-Butenyl)-2,5-dimethyl-4-piperidone
CID 129807733
1-(2-Pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
CID 134980510
1-[(1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134991537
(1R,2S,4R,5S)-2,8-dimethyl-4-propyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967016
(1R,4R,5S)-2,2,4,8-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967017

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one (CID 79406491) is 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one is CC1C(=O)CCN(C2CC=CCC2)C1C.
What is the InChIKey of 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one?
The InChIKey is MJPMPJWPSNJMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-11(2)14(9-8-13(10)15)12-6-4-3-5-7-12/h3-4,10-12H,5-9H2,1-2H3.
What are the key properties of 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one?
1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one has a molecular weight of 207.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79406491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).