1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone

C13H21NO — CID 114620010

IUPAC1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C13H21NO/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h3,5,12-13H,2,4,6-10H2,1H3
InChIKeyBEAWZSMXWKWXKL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds2

About 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone

1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone (PubChem CID 114620010) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
PubChem CID114620010
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C13H21NO/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h3,5,12-13H,2,4,6-10H2,1H3
InChIKeyBEAWZSMXWKWXKL-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-cyclohex-2-en-1-ylpiperidine-4-carboxamide
CID 171914153
methyl (3S)-1-cyclohex-2-en-1-ylpiperidine-3-carboxylate
CID 103714081
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
CID 114620570
2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol
CID 115647939
2-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]oxyacetic acid
CID 114228011
1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
CID 114620467
1-[1-[(2E)-cyclooct-2-en-1-yl]piperidin-4-yl]ethanamine
CID 114228031
1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide
CID 56574620
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
2-[4-[(1R)-cyclohex-2-en-1-yl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 95149850
1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine
CID 130841167

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone (CID 114620010) is 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone is CC(=O)C1CCN(C2C=CCCC2)CC1.
What is the InChIKey of 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone?
The InChIKey is BEAWZSMXWKWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h3,5,12-13H,2,4,6-10H2,1H3.
What are the key properties of 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone?
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone has a molecular weight of 207.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 114620010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).