(3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride

C24H30ClNO2 — CID 45262107

IUPAC(3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H29NO2.ClH/c26-24(27)22-15-10-18-25(19-22)17-9-3-8-16-23(20-11-4-1-5-12-20)21-13-6-2-7-14-21;/h1-2,4-7,11-14,16,22H,3,8-10,15,17-19H2,(H,26,27);1H/t22-;/m1./s1
InChIKeyBMYKMXNDWNEIHJ-VZYDHVRKSA-N
MW399.96 g/mol
LogP5.51
Rot. Bonds8

About (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride

(3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 45262107) has the molecular formula C24H30ClNO2 and a molecular weight of 399.96 g/mol. Its IUPAC name is (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID45262107
Molecular FormulaC24H30ClNO2
Molecular Weight399.96 g/mol
Exact Mass399.20
IUPAC Name(3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN(CCCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H29NO2.ClH/c26-24(27)22-15-10-18-25(19-22)17-9-3-8-16-23(20-11-4-1-5-12-20)21-13-6-2-7-14-21;/h1-2,4-7,11-14,16,22H,3,8-10,15,17-19H2,(H,26,27);1H/t22-;/m1./s1
InChIKeyBMYKMXNDWNEIHJ-VZYDHVRKSA-N
XLogP5.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.96
LogP ≤ 55.51
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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Related Compounds

Skf 89976
CID 92409
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
Ethyl 1-(2-phenylethyl)-3-piperidinecarboxylate
CID 2845965
Ethyl 1-(3-phenyl-2-propen-1-yl)-3-piperidinecarboxylate
CID 5721691
methyl (3S,4S)-1-methyl-4-(4-phenylphenyl)piperidine-3-carboxylate
CID 10710016
1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CID 6917797
(R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid
CID 9797818
[1-(4,4-Diphenyl-but-3-enyl)-pyrrolidin-3-yl]-acetic acid
CID 9927708
(S)-2-(1-(4,4-diphenylbut-3-enyl)pyrrolidin-2-yl)acetic acid
CID 9949599
1-(4,4-Diphenyl-but-3-enyl)-4-hydroxy-piperidine-3-carboxylic acid
CID 10405703
1-(2-Benzhydrylideneaminooxy-ethyl)-piperidine-3-carboxylic acid; hydrochloride
CID 10810342
(R)-1-(2-((2,2-Diphenylethenyl)oxy)ethyl)-3-piperidinecarboxylic acid hydrochloride
CID 24842617

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride (CID 45262107) is (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN(CCCCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is BMYKMXNDWNEIHJ-VZYDHVRKSA-N. The full InChI is InChI=1S/C24H29NO2.ClH/c26-24(27)22-15-10-18-25(19-22)17-9-3-8-16-23(20-11-4-1-5-12-20)21-13-6-2-7-14-21;/h1-2,4-7,11-14,16,22H,3,8-10,15,17-19H2,(H,26,27);1H/t22-;/m1./s1.
What are the key properties of (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride?
(3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 399.96 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6,6-diphenylhex-5-enyl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).