1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid

C14H16FNO4 — CID 107069257

IUPAC1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc(F)cc2O)C1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-8-3-2-6-16(12(8)14(19)20)13(18)10-5-4-9(15)7-11(10)17/h4-5,7-8,12,17H,2-3,6H2,1H3,(H,19,20)
InChIKeyJOMRJRMDSMZDIB-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid

1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069257) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107069257
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc(F)cc2O)C1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-8-3-2-6-16(12(8)14(19)20)13(18)10-5-4-9(15)7-11(10)17/h4-5,7-8,12,17H,2-3,6H2,1H3,(H,19,20)
InChIKeyJOMRJRMDSMZDIB-UHFFFAOYSA-N
XLogP1.86
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775873
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253
1-(4-fluoro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 107013626
1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107938402
1-(2-chloro-4,5-difluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069594
1-(3-chloro-2-fluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069645
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069786
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
(4-fluoro-2-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933013
1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 107013584
1-[2-(3-fluorophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069665
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid (CID 107069257) is 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)c2ccc(F)cc2O)C1C(=O)O.
What is the InChIKey of 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is JOMRJRMDSMZDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-8-3-2-6-16(12(8)14(19)20)13(18)10-5-4-9(15)7-11(10)17/h4-5,7-8,12,17H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid?
1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).