4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile

C14H20N2 — CID 143443979

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile
SMILESC=C/C(=C\C=C/C)C1(C#N)CCN(C)CC1
InChIInChI=1S/C14H20N2/c1-4-6-7-13(5-2)14(12-15)8-10-16(3)11-9-14/h4-7H,2,8-11H2,1,3H3/b6-4-,13-7+
InChIKeyMFMCNMVQCDUGRE-FMEHWCPISA-N
MW216.33 g/mol
LogP2.91
Rot. Bonds3

About 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile

4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile (PubChem CID 143443979) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile
PubChem CID143443979
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile
SMILESC=C/C(=C\C=C/C)C1(C#N)CCN(C)CC1
InChIInChI=1S/C14H20N2/c1-4-6-7-13(5-2)14(12-15)8-10-16(3)11-9-14/h4-7H,2,8-11H2,1,3H3/b6-4-,13-7+
InChIKeyMFMCNMVQCDUGRE-FMEHWCPISA-N
XLogP2.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.91
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

4-[(2Z,6Z)-4-fluoroocta-2,4,6-trien-3-yl]-1-methylpiperidine-4-carbonitrile
CID 143617052
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidine-4-carbonitrile
CID 143493874
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 143443266
tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidine-1-carboxylate;propane
CID 144802186
1-(1-methylpiperidin-4-yl)cyclopropane-1-carbonitrile
CID 116836897
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]sulfonylpiperidine
CID 118219094
CID 174099359
CID 174099359
1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 155472398
1-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-yl]ethanone
CID 142949817
[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 138601250
2-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-1,3-dihydroindene
CID 167499533

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile (CID 143443979) is 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile is C=C/C(=C\C=C/C)C1(C#N)CCN(C)CC1.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile?
The InChIKey is MFMCNMVQCDUGRE-FMEHWCPISA-N. The full InChI is InChI=1S/C14H20N2/c1-4-6-7-13(5-2)14(12-15)8-10-16(3)11-9-14/h4-7H,2,8-11H2,1,3H3/b6-4-,13-7+.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile?
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile has a molecular weight of 216.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 143443979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).