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

C9H17FN2O2 — CID 121203050

IUPAC2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C9H17FN2O2/c10-3-1-7-6-12(9(14)5-11)4-2-8(7)13/h7-8,13H,1-6,11H2
InChIKeyUAEQJXBEJKAQCG-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.49
Rot. Bonds3

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

2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 121203050) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone
PubChem CID121203050
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C9H17FN2O2/c10-3-1-7-6-12(9(14)5-11)4-2-8(7)13/h7-8,13H,1-6,11H2
InChIKeyUAEQJXBEJKAQCG-UHFFFAOYSA-N
XLogP-0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone (CID 121203050) is 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone is NCC(=O)N1CCC(O)C(CCF)C1.
What is the InChIKey of 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is UAEQJXBEJKAQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c10-3-1-7-6-12(9(14)5-11)4-2-8(7)13/h7-8,13H,1-6,11H2.
What are the key properties of 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone?
2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 204.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121203050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).