1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid

C14H17NO4 — CID 28934157

IUPAC1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H17NO4/c16-12-3-1-10(2-4-12)9-13(17)15-7-5-11(6-8-15)14(18)19/h1-4,11,16H,5-9H2,(H,18,19)
InChIKeyGWZNNNGKGXBRQY-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.26
Rot. Bonds3

About 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid

1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 28934157) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
PubChem CID28934157
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H17NO4/c16-12-3-1-10(2-4-12)9-13(17)15-7-5-11(6-8-15)14(18)19/h1-4,11,16H,5-9H2,(H,18,19)
InChIKeyGWZNNNGKGXBRQY-UHFFFAOYSA-N
XLogP1.26
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
1-[2-(4-ethylsulfonylphenyl)acetyl]piperidine-4-carboxylic acid
CID 119166185
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid (CID 28934157) is 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is GWZNNNGKGXBRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12-3-1-10(2-4-12)9-13(17)15-7-5-11(6-8-15)14(18)19/h1-4,11,16H,5-9H2,(H,18,19).
What are the key properties of 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid?
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 28934157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).