4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid

C15H22N2O2 — CID 20542600

IUPAC4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid
SMILESCc1ccccc1CCC(C(=O)O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-3-5-13(12)6-7-14(15(18)19)17-10-8-16-9-11-17/h2-5,14,16H,6-11H2,1H3,(H,18,19)
InChIKeySAYXZUXTDZLTSF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.29
Rot. Bonds5

About 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid

4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid (PubChem CID 20542600) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid
PubChem CID20542600
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid
SMILESCc1ccccc1CCC(C(=O)O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-3-5-13(12)6-7-14(15(18)19)17-10-8-16-9-11-17/h2-5,14,16H,6-11H2,1H3,(H,18,19)
InChIKeySAYXZUXTDZLTSF-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic 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 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid?
The IUPAC name of 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid (CID 20542600) is 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid?
The canonical SMILES for 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid is Cc1ccccc1CCC(C(=O)O)N1CCNCC1.
What is the InChIKey of 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid?
The InChIKey is SAYXZUXTDZLTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-2-3-5-13(12)6-7-14(15(18)19)17-10-8-16-9-11-17/h2-5,14,16H,6-11H2,1H3,(H,18,19).
What are the key properties of 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid?
4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 20542600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).