1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile

C12H18N2 — CID 115618831

IUPAC1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile
SMILESN#CC1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C12H18N2/c13-10-11-6-8-14(9-7-11)12-4-2-1-3-5-12/h2,4,11-12H,1,3,5-9H2
InChIKeyQCMBFWHUCOFZGD-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.33
Rot. Bonds1

About 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile

1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile (PubChem CID 115618831) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile
PubChem CID115618831
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile
SMILESN#CC1CCN(C2C=CCCC2)CC1
InChIInChI=1S/C12H18N2/c13-10-11-6-8-14(9-7-11)12-4-2-1-3-5-12/h2,4,11-12H,1,3,5-9H2
InChIKeyQCMBFWHUCOFZGD-UHFFFAOYSA-N
XLogP2.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.33
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-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
(4S,9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizine-4-carbonitrile
CID 101243046
2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile
CID 142851341
1-Cyclohex-2-en-1-yl-3-fluoro-5-(trifluoromethyl)piperidine-2-carbonitrile
CID 162546803
2-Butyl-6-chloro-2-azabicyclo[2.2.2]oct-7-ene-6-carbonitrile
CID 15068642
2-(2-Azabicyclo[2.2.2]oct-5-en-2-yl)acetonitrile
CID 23039224
4-Piperidin-1-ylcyclohexene-1-carbonitrile
CID 66607603
1-methyl-4-[(1S,5S)-5-methylcyclohex-2-en-1-yl]piperazine
CID 89672923
2-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 89994125
1-Methyl-2,3,4,4a,5,9a-hexahydrocyclohepta[b]pyridine-3-carbonitrile
CID 90043301
1-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 118001566
(1S)-1-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 118687070

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile?
The IUPAC name of 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile (CID 115618831) is 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile is N#CC1CCN(C2C=CCCC2)CC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile?
The InChIKey is QCMBFWHUCOFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-10-11-6-8-14(9-7-11)12-4-2-1-3-5-12/h2,4,11-12H,1,3,5-9H2.
What are the key properties of 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile?
1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile has a molecular weight of 190.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 115618831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).