2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid

C14H20N2O3 — CID 55039331

IUPAC2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCNCC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-9-11(3-4-12(10)19-2)13(14(17)18)16-7-5-15-6-8-16/h3-4,9,13,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyXKILNPXRVMPZIW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.03
Rot. Bonds4

About 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid

2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid (PubChem CID 55039331) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
PubChem CID55039331
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCNCC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-9-11(3-4-12(10)19-2)13(14(17)18)16-7-5-15-6-8-16/h3-4,9,13,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyXKILNPXRVMPZIW-UHFFFAOYSA-N
XLogP1.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic 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-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 65026467
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112
(2S)-2-(4-methoxy-3-methylphenyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetic acid
CID 97208051
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
1-[(1S)-1-(4-methoxy-3-methylphenyl)prop-2-enyl]piperazine
CID 171282576
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171282575
methyl 2-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)acetate
CID 60993819
1-[(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethyl]piperazine;hydrochloride
CID 171177750
2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 112539474
1-[(1R)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 171172681
1-[(1R)-1-(4-methoxy-3-methylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171295223
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid (CID 55039331) is 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid is COc1ccc(C(C(=O)O)N2CCNCC2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid?
The InChIKey is XKILNPXRVMPZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-11(3-4-12(10)19-2)13(14(17)18)16-7-5-15-6-8-16/h3-4,9,13,15H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid?
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 55039331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).