4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid

C25H26N2O3 — CID 118695547

IUPAC4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccc(CC(c3ccccc3)c3ccc(O)cn3)c2)CC1
InChIInChI=1S/C25H26N2O3/c28-22-9-10-24(26-17-22)23(20-6-2-1-3-7-20)16-18-5-4-8-21(15-18)19-11-13-27(14-12-19)25(29)30/h1-10,15,17,19,23,28H,11-14,16H2,(H,29,30)
InChIKeyWNHAMXIQHAWPJT-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.02
Rot. Bonds5

About 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid

4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid (PubChem CID 118695547) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid
PubChem CID118695547
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccc(CC(c3ccccc3)c3ccc(O)cn3)c2)CC1
InChIInChI=1S/C25H26N2O3/c28-22-9-10-24(26-17-22)23(20-6-2-1-3-7-20)16-18-5-4-8-21(15-18)19-11-13-27(14-12-19)25(29)30/h1-10,15,17,19,23,28H,11-14,16H2,(H,29,30)
InChIKeyWNHAMXIQHAWPJT-UHFFFAOYSA-N
XLogP5.02
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-2-phenylethyl]phenyl]piperidine-1-carboxylic acid
CID 118695917
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077
tert-butyl 4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-2-phenylethyl]phenyl]piperidine-1-carboxylate
CID 118695929
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 23587180
[4-[3-[(1S)-1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-2-phenylethyl]phenyl]piperidin-1-yl]-(2-fluoro-2-methylcyclopropyl)methanone
CID 130355054
5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-[1-[1-(oxetan-2-yl)ethenyl]piperidin-4-yl]phenyl]-2-phenylethyl]pyridine
CID 130355058
4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
CID 68865260
4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
CID 150860508
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid (CID 118695547) is 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cccc(CC(c3ccccc3)c3ccc(O)cn3)c2)CC1.
What is the InChIKey of 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid?
The InChIKey is WNHAMXIQHAWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-22-9-10-24(26-17-22)23(20-6-2-1-3-7-20)16-18-5-4-8-21(15-18)19-11-13-27(14-12-19)25(29)30/h1-10,15,17,19,23,28H,11-14,16H2,(H,29,30).
What are the key properties of 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid?
4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid has a molecular weight of 402.49 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118695547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).