(Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile

C15H22N2 — CID 155742853

IUPAC(Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile
SMILESC=CN1CCC(C(C#N)C(/C=C\C)=C/C)CC1
InChIInChI=1S/C15H22N2/c1-4-7-13(5-2)15(12-16)14-8-10-17(6-3)11-9-14/h4-7,14-15H,3,8-11H2,1-2H3/b7-4-,13-5+
InChIKeyRUFUNBNSYPCSFQ-ORBVMKRGSA-N
MW230.35 g/mol
LogP3.50
Rot. Bonds4

About (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile

(Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile (PubChem CID 155742853) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile.

Molecular Properties

Compound Name(Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile
PubChem CID155742853
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile
SMILESC=CN1CCC(C(C#N)C(/C=C\C)=C/C)CC1
InChIInChI=1S/C15H22N2/c1-4-7-13(5-2)15(12-16)14-8-10-17(6-3)11-9-14/h4-7,14-15H,3,8-11H2,1-2H3/b7-4-,13-5+
InChIKeyRUFUNBNSYPCSFQ-ORBVMKRGSA-N
XLogP3.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.50
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-Ethyl-4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine-4-carbonitrile
CID 123408904
2-[4-[(3E,5E)-6-fluoroocta-1,3,5-trien-3-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]acetonitrile
CID 143465420
3,4,6,7,7a,11a-hexahydro-2H-benzo[a]quinolizine-2-carbonitrile
CID 57237625
4-(1,2-dimethylpiperidin-4-yl)-1,2-dimethyl-2H-pyridine
CID 70559433
1-Methyl-2,3,4,4a,5,9a-hexahydrocyclohepta[b]pyridine-3-carbonitrile
CID 90043301
2-[5,5-dimethyl-3-[(E)-2-piperidin-1-ylethenyl]cyclohex-2-en-1-ylidene]propanedinitrile
CID 90122842
1-[(1E)-buta-1,3-dienyl]-4-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidine
CID 122643082
N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine
CID 123252528
4-[5-(Dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile
CID 123618379
2-[5,5-Dimethyl-3-(2-piperidin-1-ylethenyl)cyclohex-2-en-1-ylidene]propanedinitrile
CID 123639669
(3E,7Z)-6-[1-(3,4-dimethylpenta-1,4-dien-2-yl)piperidin-4-yl]nona-3,7-dienenitrile
CID 130216362
6-(1-Ethylpiperidin-4-yl)cyclohepta-1,3,6-triene-1-carbonitrile
CID 130216912

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile?
The IUPAC name of (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile (CID 155742853) is (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile.
What is the SMILES notation for (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile?
The canonical SMILES for (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile is C=CN1CCC(C(C#N)C(/C=C\C)=C/C)CC1.
What is the InChIKey of (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile?
The InChIKey is RUFUNBNSYPCSFQ-ORBVMKRGSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-7-13(5-2)15(12-16)14-8-10-17(6-3)11-9-14/h4-7,14-15H,3,8-11H2,1-2H3/b7-4-,13-5+.
What are the key properties of (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile?
(Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile has a molecular weight of 230.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-2-(1-ethenylpiperidin-4-yl)-3-ethylidenehex-4-enenitrile is sourced from PubChem (CID 155742853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).