2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid

C14H20N2O2 — CID 20993320

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
SMILESCc1cccc(N2CCN(C(C)C(=O)O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11-4-3-5-13(10-11)16-8-6-15(7-9-16)12(2)14(17)18/h3-5,10,12H,6-9H2,1-2H3,(H,17,18)
InChIKeyRHWGLSAFYRJHKR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.59
Rot. Bonds3

About 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid

2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid (PubChem CID 20993320) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
PubChem CID20993320
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
SMILESCc1cccc(N2CCN(C(C)C(=O)O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11-4-3-5-13(10-11)16-8-6-15(7-9-16)12(2)14(17)18/h3-5,10,12H,6-9H2,1-2H3,(H,17,18)
InChIKeyRHWGLSAFYRJHKR-UHFFFAOYSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 103224480
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropanoic acid
CID 61454191
3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
CID 63069110
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
1-[chloro(phenyl)methyl]-4-(3-methylphenyl)piperazine;oxalic acid
CID 160873696
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
methane;2-[4-(3-methylphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 160837430
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 46662835
N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 51281768
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid (CID 20993320) is 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid is Cc1cccc(N2CCN(C(C)C(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid?
The InChIKey is RHWGLSAFYRJHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-3-5-13(10-11)16-8-6-15(7-9-16)12(2)14(17)18/h3-5,10,12H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid?
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 20993320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).