4-(cyclohexen-1-yl)piperidine-4-carbonitrile

C12H18N2 — CID 116659296

IUPAC4-(cyclohexen-1-yl)piperidine-4-carbonitrile
SMILESN#CC1(C2=CCCCC2)CCNCC1
InChIInChI=1S/C12H18N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h4,14H,1-3,5-9H2
InChIKeyLFHZPXAUGJRXAF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.38
Rot. Bonds1

About 4-(cyclohexen-1-yl)piperidine-4-carbonitrile

4-(cyclohexen-1-yl)piperidine-4-carbonitrile (PubChem CID 116659296) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)piperidine-4-carbonitrile
PubChem CID116659296
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(cyclohexen-1-yl)piperidine-4-carbonitrile
SMILESN#CC1(C2=CCCCC2)CCNCC1
InChIInChI=1S/C12H18N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h4,14H,1-3,5-9H2
InChIKeyLFHZPXAUGJRXAF-UHFFFAOYSA-N
XLogP2.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile
CID 116659301
3-(cycloocten-1-yl)-3-fluoropyrrolidine
CID 106655028
4-(1,2,3,6-tetrahydropyridin-4-yl)oxane-4-carbonitrile
CID 126506916
3-(cycloocten-1-yl)piperidin-3-ol
CID 106650906
2-(cyclohexen-1-yl)-2-ethylpyrrolidine
CID 106653516
(1R,5S)-1-(cyclohexen-1-yl)-4-oxobicyclo[3.1.0]hexane-6,6-dicarbonitrile
CID 11746325
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
CID 67562162
4-(cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647
4-(4-bromophenyl)piperidine-4-carbonitrile;ethane
CID 144857874
2-oxo-4,5,6,7,8,9-hexahydro-3H-benzo[7]annulene-4a-carbonitrile
CID 101229953
1-(cyclohexen-1-yl)cyclohexan-1-amine
CID 56996461
4-[3,5-bis(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 86657551

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)piperidine-4-carbonitrile?
The IUPAC name of 4-(cyclohexen-1-yl)piperidine-4-carbonitrile (CID 116659296) is 4-(cyclohexen-1-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(cyclohexen-1-yl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(cyclohexen-1-yl)piperidine-4-carbonitrile is N#CC1(C2=CCCCC2)CCNCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)piperidine-4-carbonitrile?
The InChIKey is LFHZPXAUGJRXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h4,14H,1-3,5-9H2.
What are the key properties of 4-(cyclohexen-1-yl)piperidine-4-carbonitrile?
4-(cyclohexen-1-yl)piperidine-4-carbonitrile has a molecular weight of 190.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 116659296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).