2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid

C19H22N2O2 — CID 164560835

IUPAC2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(23)13-18-15-21(17-9-5-2-6-10-17)12-11-20(18)14-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,23)/t18-/m1/s1
InChIKeyFOHPSVMUHISNCP-GOSISDBHSA-N
MW310.40 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid

2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid (PubChem CID 164560835) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid
PubChem CID164560835
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(23)13-18-15-21(17-9-5-2-6-10-17)12-11-20(18)14-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,23)/t18-/m1/s1
InChIKeyFOHPSVMUHISNCP-GOSISDBHSA-N
XLogP2.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid
CID 170939372
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
(2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide
CID 92981232
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
CID 14998805
4-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
1-benzyl-3-formylimidazolidine-2-carboxylic acid
CID 175398932
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-[(2R,5S)-1-benzoyl-4-benzyl-5-methylpiperazin-2-yl]acetic acid
CID 176721270

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid (CID 164560835) is 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(c2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid?
The InChIKey is FOHPSVMUHISNCP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(23)13-18-15-21(17-9-5-2-6-10-17)12-11-20(18)14-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,23)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid?
2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid has a molecular weight of 310.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid is sourced from PubChem (CID 164560835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).