2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid

C15H22N2O2 — CID 62270100

IUPAC2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
SMILESCN1CCN(CC(C)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(14(18)19,13-6-4-3-5-7-13)12-17-10-8-16(2)9-11-17/h3-7H,8-12H2,1-2H3,(H,18,19)
InChIKeyJHMWCJFMLUOQIN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid

2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid (PubChem CID 62270100) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
PubChem CID62270100
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
SMILESCN1CCN(CC(C)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(14(18)19,13-6-4-3-5-7-13)12-17-10-8-16(2)9-11-17/h3-7H,8-12H2,1-2H3,(H,18,19)
InChIKeyJHMWCJFMLUOQIN-UHFFFAOYSA-N
XLogP1.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic 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

3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62272318
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
CID 43829761
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
benzoic acid;1,4-dimethylpiperazine
CID 166460840
2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
CID 64796768
2,2-dimethyl-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanoic acid
CID 117469358
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62487324
ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol
CID 91212173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid (CID 62270100) is 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid is CN1CCN(CC(C)(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid?
The InChIKey is JHMWCJFMLUOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(14(18)19,13-6-4-3-5-7-13)12-17-10-8-16(2)9-11-17/h3-7H,8-12H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid?
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 62270100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).