1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone

C10H19FN2O2 — CID 121203051

IUPAC1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H19FN2O2/c1-12-6-10(15)13-5-3-9(14)8(7-13)2-4-11/h8-9,12,14H,2-7H2,1H3
InChIKeyZFIYWXUPDPAPEZ-UHFFFAOYSA-N
MW218.27 g/mol
LogP-0.23
Rot. Bonds4

About 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone

1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 121203051) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone
PubChem CID121203051
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H19FN2O2/c1-12-6-10(15)13-5-3-9(14)8(7-13)2-4-11/h8-9,12,14H,2-7H2,1H3
InChIKeyZFIYWXUPDPAPEZ-UHFFFAOYSA-N
XLogP-0.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone (CID 121203051) is 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(O)C(CCF)C1.
What is the InChIKey of 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is ZFIYWXUPDPAPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-12-6-10(15)13-5-3-9(14)8(7-13)2-4-11/h8-9,12,14H,2-7H2,1H3.
What are the key properties of 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone?
1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 218.27 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 121203051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).