1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid

C19H19Cl2NO2 — CID 3465091

IUPAC1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C19H19Cl2NO2/c20-15-9-7-13(8-10-15)18(16-5-1-2-6-17(16)21)22-11-3-4-14(12-22)19(23)24/h1-2,5-10,14,18H,3-4,11-12H2,(H,23,24)
InChIKeyJCYWJNBHEKCKEB-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.88
Rot. Bonds4

About 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid

1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 3465091) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
PubChem CID3465091
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)C1
InChIInChI=1S/C19H19Cl2NO2/c20-15-9-7-13(8-10-15)18(16-5-1-2-6-17(16)21)22-11-3-4-14(12-22)19(23)24/h1-2,5-10,14,18H,3-4,11-12H2,(H,23,24)
InChIKeyJCYWJNBHEKCKEB-UHFFFAOYSA-N
XLogP4.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
1-[(4-chlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5024363
1-[(2-chlorophenyl)-(2,3-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 3978380
1-[(4-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3428001
1-[(4-bromophenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4019879
1-[(2,4-dichlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4541327
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5032269
1-[1,3-benzothiazol-2-yl-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5092030
1-[(2-chlorophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 3984942
1-[(5-bromothiophen-2-yl)-(2-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5031214
1-[(2,4-difluorophenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3946600
1-[(2-chlorophenyl)-cyanomethyl]piperidine-3-carboxylic acid
CID 84756638

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid (CID 3465091) is 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is JCYWJNBHEKCKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-15-9-7-13(8-10-15)18(16-5-1-2-6-17(16)21)22-11-3-4-14(12-22)19(23)24/h1-2,5-10,14,18H,3-4,11-12H2,(H,23,24).
What are the key properties of 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid?
1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 364.27 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3465091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).