2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid

C19H22N2O2 — CID 19433570

IUPAC2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
SMILESO=C(O)C(CN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(23)18(16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,23)
InChIKeyWCLCEQAUMJMMDU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.68
Rot. Bonds5

About 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid

2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid (PubChem CID 19433570) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
PubChem CID19433570
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
SMILESO=C(O)C(CN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(23)18(16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,23)
InChIKeyWCLCEQAUMJMMDU-UHFFFAOYSA-N
XLogP2.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
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(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
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3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-phenylpropanoic acid
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2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
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3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid (CID 19433570) is 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid is O=C(O)C(CN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid?
The InChIKey is WCLCEQAUMJMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(23)18(16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,23).
What are the key properties of 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid?
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid has a molecular weight of 310.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 19433570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).