2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid

C13H17NO3 — CID 102958633

IUPAC2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
SMILESCC1CCN(c2ccccc2C(=O)O)CC1O
InChIInChI=1S/C13H17NO3/c1-9-6-7-14(8-12(9)15)11-5-3-2-4-10(11)13(16)17/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyLPPOMQAKOLNVSD-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.59
Rot. Bonds2

About 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid

2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid (PubChem CID 102958633) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
PubChem CID102958633
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
SMILESCC1CCN(c2ccccc2C(=O)O)CC1O
InChIInChI=1S/C13H17NO3/c1-9-6-7-14(8-12(9)15)11-5-3-2-4-10(11)13(16)17/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyLPPOMQAKOLNVSD-UHFFFAOYSA-N
XLogP1.59
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958200
2-[(3S)-3-methylpiperazin-1-yl]benzoic acid
CID 45073200
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
2-[(3S)-3-[(1S)-1-hydroxyethyl]pyrrolidin-1-yl]benzoic acid
CID 129393692
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
CID 114678912
4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
CID 102958619
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-(3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 83819594

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid (CID 102958633) is 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid is CC1CCN(c2ccccc2C(=O)O)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid?
The InChIKey is LPPOMQAKOLNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-6-7-14(8-12(9)15)11-5-3-2-4-10(11)13(16)17/h2-5,9,12,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid?
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 102958633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).