1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one

C15H18FNO3 — CID 107014982

IUPAC1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C15H18FNO3/c1-10(18)9-11-5-2-3-8-17(11)15(20)14-12(16)6-4-7-13(14)19/h4,6-7,11,19H,2-3,5,8-9H2,1H3
InChIKeyTYHXWZIOKWTTDE-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.51
Rot. Bonds3

About 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one

1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one (PubChem CID 107014982) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
PubChem CID107014982
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1c(O)cccc1F
InChIInChI=1S/C15H18FNO3/c1-10(18)9-11-5-2-3-8-17(11)15(20)14-12(16)6-4-7-13(14)19/h4,6-7,11,19H,2-3,5,8-9H2,1H3
InChIKeyTYHXWZIOKWTTDE-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,6-dihydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107688771
(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549037
[2-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016719
[2-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016765
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985
[2-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015847
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one (CID 107014982) is 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1c(O)cccc1F.
What is the InChIKey of 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
The InChIKey is TYHXWZIOKWTTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(18)9-11-5-2-3-8-17(11)15(20)14-12(16)6-4-7-13(14)19/h4,6-7,11,19H,2-3,5,8-9H2,1H3.
What are the key properties of 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one has a molecular weight of 279.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 107014982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).