3-(2-chlorophenyl)piperazine-1-carboxylic acid

C11H13ClN2O2 — CID 174410576

IUPAC3-(2-chlorophenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-4-2-1-3-8(9)10-7-14(11(15)16)6-5-13-10/h1-4,10,13H,5-7H2,(H,15,16)
InChIKeyWCWIHGZIFDMFAL-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.96
Rot. Bonds1

About 3-(2-chlorophenyl)piperazine-1-carboxylic acid

3-(2-chlorophenyl)piperazine-1-carboxylic acid (PubChem CID 174410576) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)piperazine-1-carboxylic acid
PubChem CID174410576
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-(2-chlorophenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-4-2-1-3-8(9)10-7-14(11(15)16)6-5-13-10/h1-4,10,13H,5-7H2,(H,15,16)
InChIKeyWCWIHGZIFDMFAL-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)piperazine-1-carbaldehyde
CID 174711160
[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 126799294
3-(2,5-difluorophenyl)piperazine-1-carboxylic acid
CID 175494190
2-(2-chlorophenyl)piperidine-4-carboxylic acid
CID 82388189
[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 154755976
tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 71432777
ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 142506906
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
3-(3,5-difluorophenyl)piperazine-1-carboxylic acid
CID 175494242
6-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 117168140
3-chloro-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480873
3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid
CID 23121971

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)piperazine-1-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)piperazine-1-carboxylic acid (CID 174410576) is 3-(2-chlorophenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)piperazine-1-carboxylic acid is O=C(O)N1CCNC(c2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)piperazine-1-carboxylic acid?
The InChIKey is WCWIHGZIFDMFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-4-2-1-3-8(9)10-7-14(11(15)16)6-5-13-10/h1-4,10,13H,5-7H2,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)piperazine-1-carboxylic acid?
3-(2-chlorophenyl)piperazine-1-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 174410576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).