4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid

C20H23NO4 — CID 154352659

IUPAC4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2cc(CCO)ccc2O)CC1
InChIInChI=1S/C20H23NO4/c22-13-8-15-6-7-18(23)17(14-15)20(16-4-2-1-3-5-16)9-11-21(12-10-20)19(24)25/h1-7,14,22-23H,8-13H2,(H,24,25)
InChIKeyOIBDKYOIJYBBRZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.99
Rot. Bonds4

About 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid

4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid (PubChem CID 154352659) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid
PubChem CID154352659
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2cc(CCO)ccc2O)CC1
InChIInChI=1S/C20H23NO4/c22-13-8-15-6-7-18(23)17(14-15)20(16-4-2-1-3-5-16)9-11-21(12-10-20)19(24)25/h1-7,14,22-23H,8-13H2,(H,24,25)
InChIKeyOIBDKYOIJYBBRZ-UHFFFAOYSA-N
XLogP2.99
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid
CID 91426619
N-[3-[4-hydroxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]propyl]thiophene-2-carboxamide
CID 123717604
4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240699
3-[2-[4-methoxy-3-(1-methyl-4-phenylpiperidin-4-yl)phenyl]ethoxy]propanoic acid
CID 67115056
2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
CID 118271940
4-[2-[(4-tert-butylphenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid
CID 22240887
4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
CID 175280270
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240874
8-hydroxy-5-[1-hydroxy-2-[2-[4-hydroxy-3-(4-phenyl-1-propan-2-ylpiperidin-4-yl)phenyl]ethylamino]ethyl]-1H-quinolin-2-one
CID 123159230
4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
CID 69359350
4-[3-(dibenzylamino)phenyl]-4-hydroxypiperidine-1-carboxylic acid
CID 71257969

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid (CID 154352659) is 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccccc2)(c2cc(CCO)ccc2O)CC1.
What is the InChIKey of 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is OIBDKYOIJYBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-13-8-15-6-7-18(23)17(14-15)20(16-4-2-1-3-5-16)9-11-21(12-10-20)19(24)25/h1-7,14,22-23H,8-13H2,(H,24,25).
What are the key properties of 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid?
4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 154352659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).