1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one

C13H21NO — CID 123759959

IUPAC1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one
SMILESCC1C=CCCC1CN1CCC(=O)CC1
InChIInChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)10-14-8-6-13(15)7-9-14/h2,4,11-12H,3,5-10H2,1H3
InChIKeyCABPJNJRPINVBA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds2

About 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one

1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one (PubChem CID 123759959) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one
PubChem CID123759959
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one
SMILESCC1C=CCCC1CN1CCC(=O)CC1
InChIInChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)10-14-8-6-13(15)7-9-14/h2,4,11-12H,3,5-10H2,1H3
InChIKeyCABPJNJRPINVBA-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
(3Z)-5-fluoro-1-(1-methylpiperidin-4-yl)hexa-3,5-dien-1-one
CID 60021033
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidin-4-one
CID 69593566
1-(4-Fluoro-4-piperidin-1-ylcyclohexa-2,5-dien-1-yl)butan-1-one
CID 70567034
3-Allyl-1-methyl-4-piperidone
CID 11457792
6-(Piperidin-1-ylmethyl)cyclohex-2-en-1-one
CID 101419248
3-Methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)piperidine
CID 3053001
4-Methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)piperidine
CID 3053002
1-[(E)-dec-4-enyl]piperidin-4-one
CID 102028425
1,3-Bis(prop-2-enyl)piperidin-4-one
CID 14916625
3-Ethenyl-1-methylpiperidin-4-one
CID 54458985
1-Cyclohex-3-en-1-yl-2-piperidin-1-ylethanone
CID 54493446

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one (CID 123759959) is 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one is CC1C=CCCC1CN1CCC(=O)CC1.
What is the InChIKey of 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one?
The InChIKey is CABPJNJRPINVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-4-2-3-5-12(11)10-14-8-6-13(15)7-9-14/h2,4,11-12H,3,5-10H2,1H3.
What are the key properties of 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one?
1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one has a molecular weight of 207.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohex-3-en-1-yl)methyl]piperidin-4-one is sourced from PubChem (CID 123759959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).