1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone

C13H21NO — CID 54493446

IUPAC1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)C1CC=CCC1
InChIInChI=1S/C13H21NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3,12H,2,4-11H2
InChIKeyXXJZQZBEDCVOOF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds3

About 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone

1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone (PubChem CID 54493446) 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-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone
PubChem CID54493446
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)C1CC=CCC1
InChIInChI=1S/C13H21NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3,12H,2,4-11H2
InChIKeyXXJZQZBEDCVOOF-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.40
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

1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
1-(4-Fluoro-4-piperidin-1-ylcyclohexa-2,5-dien-1-yl)butan-1-one
CID 70567034
6-(Piperidin-1-ylmethyl)cyclohex-2-en-1-one
CID 101419248
1-(3-Cyclohexen-1-ylcarbonyl)-3-methylpiperidine
CID 3052996
Cyclohex-3-en-1-yl-(4-methylpiperidin-1-yl)methanone
CID 12760859
(E)-4-methyl-1-(1-methylpiperidin-3-yl)pent-2-en-1-one
CID 59106061
(E)-1-(1-ethylpiperidin-3-yl)-4-methylpent-2-en-1-one
CID 59160803
6-(3-Piperidin-1-ylpropyl)cyclohexa-2,4-dien-1-one
CID 71268512
1-(1-Methylpiperidin-3-yl)but-2-en-1-one
CID 91263737
1-[(2-Methylcyclohex-3-en-1-yl)methyl]piperidin-4-one
CID 123759959
1-[(2,2,6,6-Tetradeuteriocyclohex-3-en-1-yl)methyl]piperidin-4-one
CID 140843858
(8Z)-1-azabicyclo[11.3.1]heptadec-8-en-3-one
CID 141153329

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone?
The IUPAC name of 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone (CID 54493446) is 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone?
The canonical SMILES for 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone?
The InChIKey is XXJZQZBEDCVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14/h1,3,12H,2,4-11H2.
What are the key properties of 1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone?
1-cyclohex-3-en-1-yl-2-piperidin-1-ylethanone has a molecular weight of 207.32 g/mol, XLogP of 2.40, 3 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-piperidin-1-ylethanone is sourced from PubChem (CID 54493446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).