(3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid

C24H31NO2 — CID 10570870

IUPAC(3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCCCCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H31NO2/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/h1-2,4-7,11-14,22-23H,3,8-10,15-19H2,(H,26,27)/t22-/m1/s1
InChIKeyLGDYFOYHSZGDEU-JOCHJYFZSA-N
MW365.52 g/mol
LogP5.18
Rot. Bonds9

About (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid

(3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid (PubChem CID 10570870) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid
PubChem CID10570870
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCCCCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H31NO2/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/h1-2,4-7,11-14,22-23H,3,8-10,15-19H2,(H,26,27)/t22-/m1/s1
InChIKeyLGDYFOYHSZGDEU-JOCHJYFZSA-N
XLogP5.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.18
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
methyl (3S,4S)-4-(4-ethenylphenyl)-1-methylpiperidine-3-carboxylate
CID 10377864
methyl (3S,4S)-1-methyl-4-(4-prop-2-enylphenyl)piperidine-3-carboxylate
CID 10802241
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
Ethyl 1-(4-biphenylylmethyl)-3-piperidinecarboxylate
CID 2838654
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
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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid (CID 10570870) is (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCCCCC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid?
The InChIKey is LGDYFOYHSZGDEU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31NO2/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/h1-2,4-7,11-14,22-23H,3,8-10,15-19H2,(H,26,27)/t22-/m1/s1.
What are the key properties of (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid?
(3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid has a molecular weight of 365.52 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6,6-diphenylhexyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 10570870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).