2-(1-hydroxypiperidin-4-yl)benzoic acid

C12H15NO3 — CID 19784857

IUPAC2-(1-hydroxypiperidin-4-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(O)CC1
InChIInChI=1S/C12H15NO3/c14-12(15)11-4-2-1-3-10(11)9-5-7-13(16)8-6-9/h1-4,9,16H,5-8H2,(H,14,15)
InChIKeyAECKCXNXPJYUMJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.95
Rot. Bonds2

About 2-(1-hydroxypiperidin-4-yl)benzoic acid

2-(1-hydroxypiperidin-4-yl)benzoic acid (PubChem CID 19784857) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-hydroxypiperidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-hydroxypiperidin-4-yl)benzoic acid
PubChem CID19784857
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(1-hydroxypiperidin-4-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(O)CC1
InChIInChI=1S/C12H15NO3/c14-12(15)11-4-2-1-3-10(11)9-5-7-13(16)8-6-9/h1-4,9,16H,5-8H2,(H,14,15)
InChIKeyAECKCXNXPJYUMJ-UHFFFAOYSA-N
XLogP1.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dioxolan-4-yl)benzoic acid
CID 87618299
2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
CID 166237312
2-(4-aminocycloheptyl)benzoic acid
CID 115039628
2-[1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-yl]benzoic acid
CID 91494222
2-(3-bromocyclopentyl)benzoic acid
CID 151009009
2-(oxolan-3-yl)benzoic acid
CID 83830028
2-(1-aminopiperidin-4-yl)benzamide
CID 174916154
2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid
CID 56891124
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-cyclopropylbenzoyl chloride
CID 118024624
2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid
CID 154746480
2-[1-(4-cyclopropyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]benzoic acid
CID 154843869

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypiperidin-4-yl)benzoic acid?
The IUPAC name of 2-(1-hydroxypiperidin-4-yl)benzoic acid (CID 19784857) is 2-(1-hydroxypiperidin-4-yl)benzoic acid.
What is the SMILES notation for 2-(1-hydroxypiperidin-4-yl)benzoic acid?
The canonical SMILES for 2-(1-hydroxypiperidin-4-yl)benzoic acid is O=C(O)c1ccccc1C1CCN(O)CC1.
What is the InChIKey of 2-(1-hydroxypiperidin-4-yl)benzoic acid?
The InChIKey is AECKCXNXPJYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)11-4-2-1-3-10(11)9-5-7-13(16)8-6-9/h1-4,9,16H,5-8H2,(H,14,15).
What are the key properties of 2-(1-hydroxypiperidin-4-yl)benzoic acid?
2-(1-hydroxypiperidin-4-yl)benzoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypiperidin-4-yl)benzoic acid is sourced from PubChem (CID 19784857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).