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

C20H23NO3 — CID 83953409

IUPAC2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H23NO3/c22-18-10-6-16(7-11-18)19(20(23)24)14-15-4-8-17(9-5-15)21-12-2-1-3-13-21/h4-11,19,22H,1-3,12-14H2,(H,23,24)
InChIKeyGPMHNXNJJJYWRN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.79
Rot. Bonds5

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

2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid (PubChem CID 83953409) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
PubChem CID83953409
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H23NO3/c22-18-10-6-16(7-11-18)19(20(23)24)14-15-4-8-17(9-5-15)21-12-2-1-3-13-21/h4-11,19,22H,1-3,12-14H2,(H,23,24)
InChIKeyGPMHNXNJJJYWRN-UHFFFAOYSA-N
XLogP3.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 82160408
2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
2-(4-pyrrolidin-1-ylphenyl)butanedioic acid
CID 168515530
2-(4-methoxy-3-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 83953350
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 131872358
4-(4-pyrrolidin-1-ylphenyl)-2-(4-sulfamoylphenyl)butanoic acid
CID 19599666
benzyl 2-hydroxy-3-(4-piperidin-1-ylphenyl)propanoate
CID 57026029
1-(4-piperidin-1-ylphenyl)butan-2-ol
CID 82160958
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid (CID 83953409) is 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid is O=C(O)C(Cc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is GPMHNXNJJJYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-18-10-6-16(7-11-18)19(20(23)24)14-15-4-8-17(9-5-15)21-12-2-1-3-13-21/h4-11,19,22H,1-3,12-14H2,(H,23,24).
What are the key properties of 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid?
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 83953409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).