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

C23H28ClNO2 — CID 45264888

IUPAC(3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2.ClH/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);1H/t21-;/m1./s1
InChIKeyJXUXDXCWSFWKOO-ZMBIFBSDSA-N
MW385.94 g/mol
LogP5.12
Rot. Bonds7

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

(3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 45264888) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID45264888
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Name(3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27NO2.ClH/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);1H/t21-;/m1./s1
InChIKeyJXUXDXCWSFWKOO-ZMBIFBSDSA-N
XLogP5.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 55.12
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 (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride (CID 45264888) is (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is JXUXDXCWSFWKOO-ZMBIFBSDSA-N. The full InChI is InChI=1S/C23H27NO2.ClH/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);1H/t21-;/m1./s1.
What are the key properties of (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride?
(3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45264888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).