1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone

C16H20FNO2 — CID 15462962

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)N1CCCC(O)C1
InChIInChI=1S/C16H20FNO2/c17-14-6-2-1-5-13(14)15(16(20)11-7-8-11)18-9-3-4-12(19)10-18/h1-2,5-6,11-12,15,19H,3-4,7-10H2
InChIKeyLJGNQPLGDJSVAB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.30
Rot. Bonds4

About 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone

1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 15462962) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID15462962
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)N1CCCC(O)C1
InChIInChI=1S/C16H20FNO2/c17-14-6-2-1-5-13(14)15(16(20)11-7-8-11)18-9-3-4-12(19)10-18/h1-2,5-6,11-12,15,19H,3-4,7-10H2
InChIKeyLJGNQPLGDJSVAB-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone (CID 15462962) is 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone is O=C(C1CC1)C(c1ccccc1F)N1CCCC(O)C1.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is LJGNQPLGDJSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-6-2-1-5-13(14)15(16(20)11-7-8-11)18-9-3-4-12(19)10-18/h1-2,5-6,11-12,15,19H,3-4,7-10H2.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 277.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 15462962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).