2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid

C14H20N2O2 — CID 82239792

IUPAC2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
SMILESCC(Cc1ccccc1)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18,16-9-7-15-8-10-16)11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,17,18)
InChIKeyPLCAHPGWXOCATG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds4

About 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid

2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid (PubChem CID 82239792) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
PubChem CID82239792
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
SMILESCC(Cc1ccccc1)(C(=O)O)N1CCNCC1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18,16-9-7-15-8-10-16)11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,17,18)
InChIKeyPLCAHPGWXOCATG-UHFFFAOYSA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832067
2-benzyl-2-piperazin-1-ylbutanoic acid
CID 79008570
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752467
3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752469
3-(2-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 114831921
3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid
CID 84752381
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
2-methyl-3-(4-nitrophenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 84747091
3-(2-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 60996901
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid?
The IUPAC name of 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid (CID 82239792) is 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid.
What is the SMILES notation for 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid?
The canonical SMILES for 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid is CC(Cc1ccccc1)(C(=O)O)N1CCNCC1.
What is the InChIKey of 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid?
The InChIKey is PLCAHPGWXOCATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(13(17)18,16-9-7-15-8-10-16)11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid?
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid has a molecular weight of 248.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid is sourced from PubChem (CID 82239792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).