2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid

C14H19ClN2O2 — CID 117243308

IUPAC2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(C(=O)O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-16-5-7-17(8-6-16)10-13(14(18)19)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,18,19)
InChIKeyTUGPBAUJWSYPLU-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid

2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 117243308) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID117243308
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(C(=O)O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-16-5-7-17(8-6-16)10-13(14(18)19)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,18,19)
InChIKeyTUGPBAUJWSYPLU-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(azepan-1-yl)-2-(3-chlorophenyl)propanoate
CID 117243277
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid
CID 53487613
2-(3-chlorophenyl)-4-piperazin-1-ylbutanoic acid
CID 172688988
1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
CID 129382633
2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-(4-methylpiperazin-1-yl)propan-2-yl 3-chlorobenzoate
CID 3152962
3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-phenylpropanoic acid
CID 14097038
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
2-(3-chlorophenyl)-6-methylheptanoic acid
CID 83158941

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid (CID 117243308) is 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid is CN1CCN(CC(C(=O)O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is TUGPBAUJWSYPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-5-7-17(8-6-16)10-13(14(18)19)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid?
2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 282.77 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 117243308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).