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

C12H15NO3 — CID 105477286

IUPAC2-(4-hydroxypiperidin-4-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1(O)CCNCC1
InChIInChI=1S/C12H15NO3/c14-11(15)9-3-1-2-4-10(9)12(16)5-7-13-8-6-12/h1-4,13,16H,5-8H2,(H,14,15)
InChIKeySBPSSQQHGXYJPR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.96
Rot. Bonds2

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

2-(4-hydroxypiperidin-4-yl)benzoic acid (PubChem CID 105477286) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-4-yl)benzoic acid
PubChem CID105477286
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(4-hydroxypiperidin-4-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1(O)CCNCC1
InChIInChI=1S/C12H15NO3/c14-11(15)9-3-1-2-4-10(9)12(16)5-7-13-8-6-12/h1-4,13,16H,5-8H2,(H,14,15)
InChIKeySBPSSQQHGXYJPR-UHFFFAOYSA-N
XLogP0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-hydroxycyclopropyl)phenyl]-2-oxoacetic acid
CID 117109007
[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone
CID 141436195
2-(1-chlorocyclobutyl)benzoic acid
CID 174912911
1-[2-(4-hydroxy-1-methylpiperidin-4-yl)phenyl]ethanone
CID 105493011
2-(1-isocyanocyclopropyl)benzoic acid
CID 140726071
2-[1-(difluoromethyl)cyclopropyl]benzoic acid
CID 84723372
2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
CID 107432569
2-(4-methyl-2-oxo-1,3-diazinan-4-yl)benzoic acid
CID 105494131
2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid
CID 68969973
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
CID 59600606
4-(2-amino-3-chlorophenyl)piperidin-4-ol
CID 117103771

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-4-yl)benzoic acid?
The IUPAC name of 2-(4-hydroxypiperidin-4-yl)benzoic acid (CID 105477286) is 2-(4-hydroxypiperidin-4-yl)benzoic acid.
What is the SMILES notation for 2-(4-hydroxypiperidin-4-yl)benzoic acid?
The canonical SMILES for 2-(4-hydroxypiperidin-4-yl)benzoic acid is O=C(O)c1ccccc1C1(O)CCNCC1.
What is the InChIKey of 2-(4-hydroxypiperidin-4-yl)benzoic acid?
The InChIKey is SBPSSQQHGXYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(15)9-3-1-2-4-10(9)12(16)5-7-13-8-6-12/h1-4,13,16H,5-8H2,(H,14,15).
What are the key properties of 2-(4-hydroxypiperidin-4-yl)benzoic acid?
2-(4-hydroxypiperidin-4-yl)benzoic acid has a molecular weight of 221.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-4-yl)benzoic acid is sourced from PubChem (CID 105477286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).