2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid

C20H23NO2 — CID 82160408

IUPAC2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(23)19(17-7-3-1-4-8-17)15-16-9-11-18(12-10-16)21-13-5-2-6-14-21/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,22,23)
InChIKeyTYWUOWXWZTUQDL-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.09
Rot. Bonds5

About 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid

2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid (PubChem CID 82160408) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
PubChem CID82160408
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(23)19(17-7-3-1-4-8-17)15-16-9-11-18(12-10-16)21-13-5-2-6-14-21/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,22,23)
InChIKeyTYWUOWXWZTUQDL-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-(4-pyrrolidin-1-ylphenyl)butanedioic acid
CID 168515530
2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
2-(4-methoxy-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 83953350
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
benzyl 2-hydroxy-3-(4-piperidin-1-ylphenyl)propanoate
CID 57026029
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 131872358
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid (CID 82160408) is 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid is O=C(O)C(Cc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is TYWUOWXWZTUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23)19(17-7-3-1-4-8-17)15-16-9-11-18(12-10-16)21-13-5-2-6-14-21/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,22,23).
What are the key properties of 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid?
2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 309.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 82160408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).