1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile

C13H20N2 — CID 103993975

IUPAC1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(C2C=CCCC2)CC1
InChIInChI=1S/C13H20N2/c1-13(11-14)7-9-15(10-8-13)12-5-3-2-4-6-12/h3,5,12H,2,4,6-10H2,1H3
InChIKeyMVSGAXGJWDRRST-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.72
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile

1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile (PubChem CID 103993975) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile
PubChem CID103993975
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(C2C=CCCC2)CC1
InChIInChI=1S/C13H20N2/c1-13(11-14)7-9-15(10-8-13)12-5-3-2-4-6-12/h3,5,12H,2,4,6-10H2,1H3
InChIKeyMVSGAXGJWDRRST-UHFFFAOYSA-N
XLogP2.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-4-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine-4-carbonitrile
CID 144192208
(4S,9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizine-4-carbonitrile
CID 101243046
(1S,2S,6R)-6-(dimethylamino)-3,3-dimethylcyclohex-4-ene-1,2-dicarbonitrile
CID 21603121
(1R,2R,6R)-6-(dimethylamino)-3,3-dimethylcyclohex-4-ene-1,2-dicarbonitrile
CID 21603122
1-Methyl-2,3,4,4a,5,9a-hexahydrocyclohepta[b]pyridine-3-carbonitrile
CID 90043301
1-Methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile
CID 118944743
1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile
CID 123180651
1-Methyl-2-(piperidin-1-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile
CID 123661461
4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile
CID 123853949
4-(2,5-Dihydropyridin-2-yl)-1-ethylpiperidine-4-carbonitrile
CID 123892090
7-Ethyl-2,4-dimethyl-2-azabicyclo[2.2.2]oct-5-ene
CID 132154234
1-(2,2,6,6-Tetramethylcyclohex-3-en-1-yl)piperidine
CID 141107076

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile (CID 103993975) is 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(C2C=CCCC2)CC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile?
The InChIKey is MVSGAXGJWDRRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(11-14)7-9-15(10-8-13)12-5-3-2-4-6-12/h3,5,12H,2,4,6-10H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile?
1-cyclohex-2-en-1-yl-4-methylpiperidine-4-carbonitrile has a molecular weight of 204.32 g/mol, XLogP of 2.72, 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-yl-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103993975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).