1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid

C12H15ClN2O2 — CID 83488497

IUPAC1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1N1CCNCC1C(=O)O
InChIInChI=1S/C12H15ClN2O2/c1-8-2-3-9(13)6-10(8)15-5-4-14-7-11(15)12(16)17/h2-3,6,11,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyOEQOVSJPUWHMRH-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.51
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid

1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid (PubChem CID 83488497) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid
PubChem CID83488497
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid
SMILESCc1ccc(Cl)cc1N1CCNCC1C(=O)O
InChIInChI=1S/C12H15ClN2O2/c1-8-2-3-9(13)6-10(8)15-5-4-14-7-11(15)12(16)17/h2-3,6,11,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyOEQOVSJPUWHMRH-UHFFFAOYSA-N
XLogP1.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[4-(3-chlorophenyl)sulfonyl-2-methylphenyl]piperazin-2-yl]methanone
CID 68727232
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747
(2S)-1-(4-chloropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97166480
1-(4-cyano-3-methylphenyl)piperazine-2-carboxylic acid
CID 81279026
[1-[4-(4-chlorophenyl)sulfonylphenyl]piperazin-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 68727580
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
CID 71639214
N-[(2,5-dichlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylpiperazine-2-carboxamide
CID 91370503
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
1-(2,6-dichloro-4-nitrophenyl)piperazine-2-carboxylic acid
CID 106891819

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid (CID 83488497) is 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid is Cc1ccc(Cl)cc1N1CCNCC1C(=O)O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid?
The InChIKey is OEQOVSJPUWHMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-2-3-9(13)6-10(8)15-5-4-14-7-11(15)12(16)17/h2-3,6,11,14H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid?
1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 83488497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).