(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid

C18H16Cl3NO2 — CID 58956898

IUPAC(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16Cl3NO2/c19-12-2-5-14(6-3-12)22-10-11(18(23)24)1-8-17(22)15-7-4-13(20)9-16(15)21/h2-7,9,11,17H,1,8,10H2,(H,23,24)/t11?,17-/m0/s1
InChIKeyQTYOWKFLDBYYFN-KLLZUTDZSA-N
MW384.69 g/mol
LogP5.69
Rot. Bonds3

About (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid

(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid (PubChem CID 58956898) has the molecular formula C18H16Cl3NO2 and a molecular weight of 384.69 g/mol. Its IUPAC name is (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid
PubChem CID58956898
Molecular FormulaC18H16Cl3NO2
Molecular Weight384.69 g/mol
Exact Mass383.02
IUPAC Name(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16Cl3NO2/c19-12-2-5-14(6-3-12)22-10-11(18(23)24)1-8-17(22)15-7-4-13(20)9-16(15)21/h2-7,9,11,17H,1,8,10H2,(H,23,24)/t11?,17-/m0/s1
InChIKeyQTYOWKFLDBYYFN-KLLZUTDZSA-N
XLogP5.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid?
The IUPAC name of (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid (CID 58956898) is (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid?
The canonical SMILES for (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid is O=C(O)C1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid?
The InChIKey is QTYOWKFLDBYYFN-KLLZUTDZSA-N. The full InChI is InChI=1S/C18H16Cl3NO2/c19-12-2-5-14(6-3-12)22-10-11(18(23)24)1-8-17(22)15-7-4-13(20)9-16(15)21/h2-7,9,11,17H,1,8,10H2,(H,23,24)/t11?,17-/m0/s1.
What are the key properties of (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid?
(6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid has a molecular weight of 384.69 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 58956898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).