4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid

C12H15NO3 — CID 94373368

IUPAC4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C12H15NO3/c14-11-2-1-7-13(8-11)10-5-3-9(4-6-10)12(15)16/h3-6,11,14H,1-2,7-8H2,(H,15,16)/t11-/m1/s1
InChIKeyMAAUZBDYRGJMKC-LLVKDONJSA-N
MW221.26 g/mol
LogP1.35
Rot. Bonds2

About 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid

4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid (PubChem CID 94373368) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
PubChem CID94373368
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C12H15NO3/c14-11-2-1-7-13(8-11)10-5-3-9(4-6-10)12(15)16/h3-6,11,14H,1-2,7-8H2,(H,15,16)/t11-/m1/s1
InChIKeyMAAUZBDYRGJMKC-LLVKDONJSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)benzoic acid
CID 63150848
4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid
CID 82785315
4-(3,4-dihydroxypyrrolidin-1-yl)benzoic acid
CID 106669870
(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 175262082
(3R)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 174597326
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 79934834

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid?
The IUPAC name of 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid (CID 94373368) is 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid.
What is the SMILES notation for 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid?
The canonical SMILES for 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid is O=C(O)c1ccc(N2CCC[C@@H](O)C2)cc1.
What is the InChIKey of 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid?
The InChIKey is MAAUZBDYRGJMKC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11-2-1-7-13(8-11)10-5-3-9(4-6-10)12(15)16/h3-6,11,14H,1-2,7-8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid?
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid is sourced from PubChem (CID 94373368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).