2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone

C8H13F3N2O2 — CID 119326792

IUPAC2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)2-1-3-13(5-7)6(14)4-12/h15H,1-5,12H2
InChIKeyJONAGLXVDQDSDT-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.14
Rot. Bonds1

About 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone

2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 119326792) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID119326792
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)2-1-3-13(5-7)6(14)4-12/h15H,1-5,12H2
InChIKeyJONAGLXVDQDSDT-UHFFFAOYSA-N
XLogP-0.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333364
(1-aminocyclopropyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119800753
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 71981899
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
2-tert-butylsulfonyl-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 99698290
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbohydrazide
CID 130524196
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120793643
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
CID 112737624
1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
3-(2-aminophenyl)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120611230
(2-aminocyclopentyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800762

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 119326792) is 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone is NCC(=O)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is JONAGLXVDQDSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)2-1-3-13(5-7)6(14)4-12/h15H,1-5,12H2.
What are the key properties of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 226.20 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119326792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).