2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid

C14H16FNO4 — CID 107013711

IUPAC2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C14H16FNO4/c15-10-1-2-11(12(17)8-10)14(20)16-5-3-9(4-6-16)7-13(18)19/h1-2,8-9,17H,3-7H2,(H,18,19)
InChIKeyMFGAXDVFNIAQDM-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.86
Rot. Bonds3

About 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid

2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid (PubChem CID 107013711) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
PubChem CID107013711
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C14H16FNO4/c15-10-1-2-11(12(17)8-10)14(20)16-5-3-9(4-6-16)7-13(18)19/h1-2,8-9,17H,3-7H2,(H,18,19)
InChIKeyMFGAXDVFNIAQDM-UHFFFAOYSA-N
XLogP1.86
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 79614807
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
CID 107014936
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid (CID 107013711) is 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccc(F)cc2O)CC1.
What is the InChIKey of 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is MFGAXDVFNIAQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-10-1-2-11(12(17)8-10)14(20)16-5-3-9(4-6-16)7-13(18)19/h1-2,8-9,17H,3-7H2,(H,18,19).
What are the key properties of 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid?
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 281.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 107013711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).