2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid

C20H24N2O2 — CID 170939372

IUPAC2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid
SMILESC[C@H]1CN(c2ccccc2)C[C@H](CC(=O)O)N1Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16-13-21(18-10-6-3-7-11-18)15-19(12-20(23)24)22(16)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3,(H,23,24)/t16-,19-/m0/s1
InChIKeyHYOCIILXQNDXCM-LPHOPBHVSA-N
MW324.42 g/mol
LogP3.24
Rot. Bonds5

About 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid

2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid (PubChem CID 170939372) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid
PubChem CID170939372
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid
SMILESC[C@H]1CN(c2ccccc2)C[C@H](CC(=O)O)N1Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16-13-21(18-10-6-3-7-11-18)15-19(12-20(23)24)22(16)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3,(H,23,24)/t16-,19-/m0/s1
InChIKeyHYOCIILXQNDXCM-LPHOPBHVSA-N
XLogP3.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid?
The IUPAC name of 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid (CID 170939372) is 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid is C[C@H]1CN(c2ccccc2)C[C@H](CC(=O)O)N1Cc1ccccc1.
What is the InChIKey of 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid?
The InChIKey is HYOCIILXQNDXCM-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-13-21(18-10-6-3-7-11-18)15-19(12-20(23)24)22(16)14-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3,(H,23,24)/t16-,19-/m0/s1.
What are the key properties of 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid?
2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid has a molecular weight of 324.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-1-benzyl-6-methyl-4-phenylpiperazin-2-yl]acetic acid is sourced from PubChem (CID 170939372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).