2-(4-benzylpiperazin-1-yl)acetic acid

C13H18N2O2 — CID 1402890

IUPAC2-(4-benzylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKeyFNCALUISHXHMND-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)acetic acid

2-(4-benzylpiperazin-1-yl)acetic acid (PubChem CID 1402890) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)acetic acid
PubChem CID1402890
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-benzylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKeyFNCALUISHXHMND-UHFFFAOYSA-N
XLogP0.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzylpiperazin-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)acetic acid (CID 1402890) is 2-(4-benzylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)acetic acid is O=C(O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)acetic acid?
The InChIKey is FNCALUISHXHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17).
What are the key properties of 2-(4-benzylpiperazin-1-yl)acetic acid?
2-(4-benzylpiperazin-1-yl)acetic acid has a molecular weight of 234.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 1402890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).