[(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate

C19H23NO2 — CID 142163685

IUPAC[(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate
SMILESC/C=C\C=C/C=C/OC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H23NO2/c1-2-3-4-5-9-16-22-19(21)20-14-12-18(13-15-20)17-10-7-6-8-11-17/h2-11,16,18H,12-15H2,1H3/b3-2-,5-4-,16-9+
InChIKeyAMCXIXDSZUHQCR-FAZOHXIJSA-N
MW297.40 g/mol
LogP4.65
Rot. Bonds4

About [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate

[(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate (PubChem CID 142163685) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate
PubChem CID142163685
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate
SMILESC/C=C\C=C/C=C/OC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H23NO2/c1-2-3-4-5-9-16-22-19(21)20-14-12-18(13-15-20)17-10-7-6-8-11-17/h2-11,16,18H,12-15H2,1H3/b3-2-,5-4-,16-9+
InChIKeyAMCXIXDSZUHQCR-FAZOHXIJSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
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 [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate?
The IUPAC name of [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate (CID 142163685) is [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate?
The canonical SMILES for [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate is C/C=C\C=C/C=C/OC(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate?
The InChIKey is AMCXIXDSZUHQCR-FAZOHXIJSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-3-4-5-9-16-22-19(21)20-14-12-18(13-15-20)17-10-7-6-8-11-17/h2-11,16,18H,12-15H2,1H3/b3-2-,5-4-,16-9+.
What are the key properties of [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate?
[(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z,5Z)-hepta-1,3,5-trienyl] 4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 142163685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).