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

C10H19FN2O2 — CID 121203052

IUPAC2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H19FN2O2/c1-7(12)10(15)13-5-3-9(14)8(6-13)2-4-11/h7-9,14H,2-6,12H2,1H3
InChIKeyCGSHWOGKDWTPLH-UHFFFAOYSA-N
MW218.27 g/mol
LogP-0.10
Rot. Bonds3

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

2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 121203052) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
PubChem CID121203052
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H19FN2O2/c1-7(12)10(15)13-5-3-9(14)8(6-13)2-4-11/h7-9,14H,2-6,12H2,1H3
InChIKeyCGSHWOGKDWTPLH-UHFFFAOYSA-N
XLogP-0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-0.10
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]propan-1-one?
The IUPAC name of 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one (CID 121203052) is 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one is CC(N)C(=O)N1CCC(O)C(CCF)C1.
What is the InChIKey of 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is CGSHWOGKDWTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-7(12)10(15)13-5-3-9(14)8(6-13)2-4-11/h7-9,14H,2-6,12H2,1H3.
What are the key properties of 2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one?
2-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 218.27 g/mol, XLogP of -0.10, 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]propan-1-one is sourced from PubChem (CID 121203052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).