4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine

C15H23NO — CID 143792072

IUPAC4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
SMILESC=CC(/C=C/C1CCNCC1)=C(\C=C/C)OC
InChIInChI=1S/C15H23NO/c1-4-6-15(17-3)14(5-2)8-7-13-9-11-16-12-10-13/h4-8,13,16H,2,9-12H2,1,3H3/b6-4-,8-7+,15-14-
InChIKeyJTKGXOVZYMFFTP-QIJGJXQGSA-N
MW233.35 g/mol
LogP3.20
Rot. Bonds5

About 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine

4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine (PubChem CID 143792072) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine.

Molecular Properties

Compound Name4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
PubChem CID143792072
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
SMILESC=CC(/C=C/C1CCNCC1)=C(\C=C/C)OC
InChIInChI=1S/C15H23NO/c1-4-6-15(17-3)14(5-2)8-7-13-9-11-16-12-10-13/h4-8,13,16H,2,9-12H2,1,3H3/b6-4-,8-7+,15-14-
InChIKeyJTKGXOVZYMFFTP-QIJGJXQGSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine?
The IUPAC name of 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine (CID 143792072) is 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine.
What is the SMILES notation for 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine?
The canonical SMILES for 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine is C=CC(/C=C/C1CCNCC1)=C(\C=C/C)OC.
What is the InChIKey of 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine?
The InChIKey is JTKGXOVZYMFFTP-QIJGJXQGSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-15(17-3)14(5-2)8-7-13-9-11-16-12-10-13/h4-8,13,16H,2,9-12H2,1,3H3/b6-4-,8-7+,15-14-.
What are the key properties of 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine?
4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine has a molecular weight of 233.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine is sourced from PubChem (CID 143792072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).