1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

C21H24ClNO2 — CID 5032269

IUPAC1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C)c(C(c2ccc(Cl)cc2)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C21H24ClNO2/c1-14-5-6-15(2)19(12-14)20(16-7-9-18(22)10-8-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25)
InChIKeyXEOGHOUBOJYGBR-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.84
Rot. Bonds4

About 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 5032269) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID5032269
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C)c(C(c2ccc(Cl)cc2)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C21H24ClNO2/c1-14-5-6-15(2)19(12-14)20(16-7-9-18(22)10-8-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25)
InChIKeyXEOGHOUBOJYGBR-UHFFFAOYSA-N
XLogP4.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.84
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-[(2,3-dichlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 4303860
1-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 3465091
1-[(2,4-dimethylphenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3305516
1-[(4-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3428001
1-[[4-(dimethylamino)phenyl]-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 3564402
1-[(4-chlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5024363
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
1-[(4-bromophenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4019879
1-[(5-chloro-2-methoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 3922146
1-[(2,4-dichlorophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4541327
1-[(5-chloro-2-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3955631

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid (CID 5032269) is 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid is Cc1ccc(C)c(C(c2ccc(Cl)cc2)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is XEOGHOUBOJYGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-14-5-6-15(2)19(12-14)20(16-7-9-18(22)10-8-16)23-11-3-4-17(13-23)21(24)25/h5-10,12,17,20H,3-4,11,13H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 357.88 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 5032269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).