4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile

C14H22N2 — CID 143030524

IUPAC4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile
SMILESCC/C=C\C=C(/CC)C1(C#N)CCNCC1
InChIInChI=1S/C14H22N2/c1-3-5-6-7-13(4-2)14(12-15)8-10-16-11-9-14/h5-7,16H,3-4,8-11H2,1-2H3/b6-5-,13-7+
InChIKeyYBLHFWBVTSDORE-RKOYKYSNSA-N
MW218.34 g/mol
LogP3.18
Rot. Bonds4

About 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile

4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile (PubChem CID 143030524) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile
PubChem CID143030524
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile
SMILESCC/C=C\C=C(/CC)C1(C#N)CCNCC1
InChIInChI=1S/C14H22N2/c1-3-5-6-7-13(4-2)14(12-15)8-10-16-11-9-14/h5-7,16H,3-4,8-11H2,1-2H3/b6-5-,13-7+
InChIKeyYBLHFWBVTSDORE-RKOYKYSNSA-N
XLogP3.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidine-4-carbonitrile
CID 143493874
5-methyl-5-[(3E,5Z)-octa-3,5-dien-3-yl]-1,2-dihydropyrrole
CID 142977275
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 143443266
(3E,5Z)-3-ethyl-2-fluoroocta-3,5-dienenitrile
CID 126595988
4-(2-methylidenebutyl)piperidine-4-carbonitrile
CID 130516853
4-ethylpiperidine-4-carbonitrile;hydrochloride
CID 75531112
ethyl 3-cyanopyrrolidine-3-carboxylate;hydrochloride
CID 154814329
(2E,4E)-2-[(E)-2-methylbut-1-enyl]hepta-2,4-dienenitrile
CID 167485877
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(3Z,5Z)-6-ethyl-7,8-dimethylnona-3,5-diene
CID 143683462
4-[(E)-3-chloroprop-2-enyl]piperidine-4-carbonitrile
CID 130516872
[(1Z,3Z)-1-cyanohexa-1,3-dienyl]-methoxyazanium
CID 143189899

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile?
The IUPAC name of 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile (CID 143030524) is 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile is CC/C=C\C=C(/CC)C1(C#N)CCNCC1.
What is the InChIKey of 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile?
The InChIKey is YBLHFWBVTSDORE-RKOYKYSNSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-5-6-7-13(4-2)14(12-15)8-10-16-11-9-14/h5-7,16H,3-4,8-11H2,1-2H3/b6-5-,13-7+.
What are the key properties of 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile?
4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile has a molecular weight of 218.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-octa-3,5-dien-3-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 143030524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).