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

C10H19FN2O2 — CID 121203053

IUPAC3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H19FN2O2/c11-4-1-8-7-13(6-3-9(8)14)10(15)2-5-12/h8-9,14H,1-7,12H2
InChIKeyYGHJIGLAIIQOFZ-UHFFFAOYSA-N
MW218.27 g/mol
LogP-0.10
Rot. Bonds4

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

3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 121203053) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
PubChem CID121203053
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC(O)C(CCF)C1
InChIInChI=1S/C10H19FN2O2/c11-4-1-8-7-13(6-3-9(8)14)10(15)2-5-12/h8-9,14H,1-7,12H2
InChIKeyYGHJIGLAIIQOFZ-UHFFFAOYSA-N
XLogP-0.10
TPSA66.56 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 ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[3-[3-(1-hydroxyethyl)piperidin-1-yl]propyl]acetamide
CID 109967282
N-(3-hydroxybutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111433665
N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112310238
N-methyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propanamide
CID 112326882
N-ethyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propanamide
CID 112326963
1-[3-(2-Amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006804
1-(3-Aminopropyl)-3-(2-fluoroethyl)piperidin-4-ol
CID 121203041
2-Amino-1-(3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl)ethan-1-one
CID 121203050
1-(3-(2-Fluoroethyl)-4-hydroxypiperidin-1-yl)-2-(methylamino)ethan-1-one
CID 121203051
2-Amino-1-(3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl)propan-1-one
CID 121203052
(3-(2-Fluoroethyl)-4-hydroxypiperidin-1-yl)(pyrrolidin-3-yl)methanone
CID 121203055
Azetidin-3-yl(3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl)methanone
CID 121203056

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one (CID 121203053) is 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one is NCCC(=O)N1CCC(O)C(CCF)C1.
What is the InChIKey of 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is YGHJIGLAIIQOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c11-4-1-8-7-13(6-3-9(8)14)10(15)2-5-12/h8-9,14H,1-7,12H2.
What are the key properties of 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one?
3-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, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 121203053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).