(2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine

C20H25N — CID 129132461

IUPAC(2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine
SMILESC=C/C=C\C=C(/C=C)N1CC(C)CC(=C/C=C)/C1=C\C=C
InChIInChI=1S/C20H25N/c1-6-10-11-14-19(9-4)21-16-17(5)15-18(12-7-2)20(21)13-8-3/h6-14,17H,1-4,15-16H2,5H3/b11-10-,18-12-,19-14+,20-13+
InChIKeyYQHUIPZUCSFVJW-KOJHVTRSSA-N
MW279.43 g/mol
LogP5.32
Rot. Bonds6

About (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine

(2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine (PubChem CID 129132461) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine.

Molecular Properties

Compound Name(2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine
PubChem CID129132461
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine
SMILESC=C/C=C\C=C(/C=C)N1CC(C)CC(=C/C=C)/C1=C\C=C
InChIInChI=1S/C20H25N/c1-6-10-11-14-19(9-4)21-16-17(5)15-18(12-7-2)20(21)13-8-3/h6-14,17H,1-4,15-16H2,5H3/b11-10-,18-12-,19-14+,20-13+
InChIKeyYQHUIPZUCSFVJW-KOJHVTRSSA-N
XLogP5.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine?
The IUPAC name of (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine (CID 129132461) is (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine.
What is the SMILES notation for (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine?
The canonical SMILES for (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine is C=C/C=C\C=C(/C=C)N1CC(C)CC(=C/C=C)/C1=C\C=C.
What is the InChIKey of (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine?
The InChIKey is YQHUIPZUCSFVJW-KOJHVTRSSA-N. The full InChI is InChI=1S/C20H25N/c1-6-10-11-14-19(9-4)21-16-17(5)15-18(12-7-2)20(21)13-8-3/h6-14,17H,1-4,15-16H2,5H3/b11-10-,18-12-,19-14+,20-13+.
What are the key properties of (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine?
(2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine has a molecular weight of 279.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine is sourced from PubChem (CID 129132461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).