1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile

C14H23N3 — CID 123582545

IUPAC1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(CC=CC/C=N/C)CC1
InChIInChI=1S/C14H23N3/c1-3-17-11-8-14(13-15,9-12-17)7-5-4-6-10-16-2/h4-5,10H,3,6-9,11-12H2,1-2H3/b5-4?,16-10+
InChIKeyHPPJKYADNWPGCI-VFPUSSMWSA-N
MW233.36 g/mol
LogP2.65
Rot. Bonds5

About 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile

1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile (PubChem CID 123582545) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile
PubChem CID123582545
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(CC=CC/C=N/C)CC1
InChIInChI=1S/C14H23N3/c1-3-17-11-8-14(13-15,9-12-17)7-5-4-6-10-16-2/h4-5,10H,3,6-9,11-12H2,1-2H3/b5-4?,16-10+
InChIKeyHPPJKYADNWPGCI-VFPUSSMWSA-N
XLogP2.65
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-Dihydropyridin-6-yl)-1-ethylpiperidine-4-carbonitrile
CID 69928528
1-Methyl-4-[1-(methylideneamino)penta-1,3-dien-2-yl]piperidine-4-carbonitrile
CID 123296551
1-Ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile
CID 123576669
1-ethyl-4-(N-methyl-C-prop-1-enylcarbonimidoyl)piperidine-4-carbonitrile
CID 123723055
4-(N-ethyl-C-prop-1-enylcarbonimidoyl)-1-methylpiperidine-4-carbonitrile
CID 123741566
4-(4H-azepin-7-yl)-1-ethylpiperidine-4-carbonitrile
CID 123812276
1-Ethyl-4-(5-iminopent-2-enyl)piperidine-4-carbonitrile
CID 123828762
4-(2,5-Dihydropyridin-2-yl)-1-ethylpiperidine-4-carbonitrile
CID 123892090
2-(2,5-Dihydropyridin-2-yl)-4-[ethyl(methyl)amino]butanenitrile
CID 123948135
1-Ethyl-4-(4-methyl-3,4-dihydropyridin-6-yl)piperidine-4-carbonitrile
CID 124026040
ethane;4-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-methylpiperidine-4-carbonitrile
CID 144192170
4-[N-ethenyl-C-[(E)-prop-1-enyl]carbonimidoyl]-1-ethylpiperidine-4-carbonitrile
CID 144192176

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile (CID 123582545) is 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile is CCN1CCC(C#N)(CC=CC/C=N/C)CC1.
What is the InChIKey of 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile?
The InChIKey is HPPJKYADNWPGCI-VFPUSSMWSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17-11-8-14(13-15,9-12-17)7-5-4-6-10-16-2/h4-5,10H,3,6-9,11-12H2,1-2H3/b5-4?,16-10+.
What are the key properties of 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile?
1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile has a molecular weight of 233.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-methyliminopent-2-enyl)piperidine-4-carbonitrile is sourced from PubChem (CID 123582545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).