1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile

C13H18N2 — CID 142846413

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile
SMILESC=C/C=C(\C=C)CN1CCCC(C#N)C1
InChIInChI=1S/C13H18N2/c1-3-6-12(4-2)10-15-8-5-7-13(9-14)11-15/h3-4,6,13H,1-2,5,7-8,10-11H2/b12-6+
InChIKeyUAYQGSIHIDBEBW-WUXMJOGZSA-N
MW202.30 g/mol
LogP2.52
Rot. Bonds4

About 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile

1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile (PubChem CID 142846413) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile
PubChem CID142846413
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile
SMILESC=C/C=C(\C=C)CN1CCCC(C#N)C1
InChIInChI=1S/C13H18N2/c1-3-6-12(4-2)10-15-8-5-7-13(9-14)11-15/h3-4,6,13H,1-2,5,7-8,10-11H2/b12-6+
InChIKeyUAYQGSIHIDBEBW-WUXMJOGZSA-N
XLogP2.52
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine
CID 144825282
1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
CID 123499743
2-(3-cyanopiperidin-1-yl)but-3-enoic acid
CID 164650468
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide
CID 142018553
1-(4-methylpentyl)piperidine-3-carbonitrile
CID 83156656
8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 142444899
2-[(2E)-2-ethenylpenta-2,4-dienyl]-5,8a-dimethyl-1,6-dioxo-3,4,4a,5,7,8-hexahydroisoquinoline-7-carbonitrile
CID 142397848
1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile
CID 115513923
1-benzylpiperidine-3-carbonitrile
CID 22931257
1-(3,3-difluorobutyl)piperidine-3-carbonitrile
CID 84670667
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile (CID 142846413) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile is C=C/C=C(\C=C)CN1CCCC(C#N)C1.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile?
The InChIKey is UAYQGSIHIDBEBW-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-6-12(4-2)10-15-8-5-7-13(9-14)11-15/h3-4,6,13H,1-2,5,7-8,10-11H2/b12-6+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile?
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile has a molecular weight of 202.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidine-3-carbonitrile is sourced from PubChem (CID 142846413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).