1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid

C23H27NO2 — CID 13125081

IUPAC1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c25-23(26)21-14-9-17-24(18-21)16-8-7-15-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,15,21H,7-9,14,16-18H2,(H,25,26)
InChIKeyUFKPKYJUWAOPRE-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.70
Rot. Bonds7

About 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid

1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid (PubChem CID 13125081) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid
PubChem CID13125081
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2/c25-23(26)21-14-9-17-24(18-21)16-8-7-15-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,15,21H,7-9,14,16-18H2,(H,25,26)
InChIKeyUFKPKYJUWAOPRE-UHFFFAOYSA-N
XLogP4.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid (CID 13125081) is 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid?
The InChIKey is UFKPKYJUWAOPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c25-23(26)21-14-9-17-24(18-21)16-8-7-15-22(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,10-13,15,21H,7-9,14,16-18H2,(H,25,26).
What are the key properties of 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid?
1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid has a molecular weight of 349.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 13125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).