4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile

C15H25N3 — CID 123618379

IUPAC4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(CC=CC=CN(C)C)CC1
InChIInChI=1S/C15H25N3/c1-4-18-12-9-15(14-16,10-13-18)8-6-5-7-11-17(2)3/h5-7,11H,4,8-10,12-13H2,1-3H3
InChIKeyGZIPLJZNAPRECV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.63
Rot. Bonds5

About 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile

4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile (PubChem CID 123618379) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile
PubChem CID123618379
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(CC=CC=CN(C)C)CC1
InChIInChI=1S/C15H25N3/c1-4-18-12-9-15(14-16,10-13-18)8-6-5-7-11-17(2)3/h5-7,11H,4,8-10,12-13H2,1-3H3
InChIKeyGZIPLJZNAPRECV-UHFFFAOYSA-N
XLogP2.63
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 124143144
4-[(2Z,6Z)-4-fluoroocta-2,4,6-trien-3-yl]-1-methylpiperidine-4-carbonitrile
CID 143617052
1-Ethyl-4-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine-4-carbonitrile
CID 144192208
2-[1-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperidin-4-yl]acetonitrile
CID 145394517
2-[1-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperidin-4-yl]acetonitrile
CID 145394629
2-[1-[(3E,7Z)-4-fluoro-2,5,6-trimethylidenedeca-3,7,9-trienyl]-4-methylpiperidin-4-yl]acetonitrile
CID 145395029
1-(3-aminopropyl)-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidine-4-carbonitrile
CID 59872594
1-(3-Aminopropyl)-4-hexa-2,4-dien-2-ylpiperidine-4-carbonitrile
CID 72584220
2-[5,5-dimethyl-3-[(E)-2-piperidin-1-ylethenyl]cyclohex-2-en-1-ylidene]propanedinitrile
CID 90122842
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-4-[1-(methylideneamino)penta-1,3-dien-2-yl]piperidine-4-carbonitrile
CID 123296551

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile?
The IUPAC name of 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile (CID 123618379) is 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile is CCN1CCC(C#N)(CC=CC=CN(C)C)CC1.
What is the InChIKey of 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile?
The InChIKey is GZIPLJZNAPRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-18-12-9-15(14-16,10-13-18)8-6-5-7-11-17(2)3/h5-7,11H,4,8-10,12-13H2,1-3H3.
What are the key properties of 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile?
4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile has a molecular weight of 247.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile is sourced from PubChem (CID 123618379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).