3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one

C8H13F3N2O — CID 69199406

IUPAC3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one
SMILESNC(C(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)6(12)5-1-3-13-4-2-5/h5-6,13H,1-4,12H2
InChIKeyDTTVBUBNOUVMLO-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.44
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one

3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one (PubChem CID 69199406) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one
PubChem CID69199406
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one
SMILESNC(C(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)7(14)6(12)5-1-3-13-4-2-5/h5-6,13H,1-4,12H2
InChIKeyDTTVBUBNOUVMLO-UHFFFAOYSA-N
XLogP0.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(piperidin-3-yl)ethanone hydrochloride
CID 134692018
3-(Trifluoracetyl)piperidine
CID 49759204
2-(Trifluoromethyl)piperidine-4-carboxamide
CID 84074921
1,1-Difluoro-1-piperidin-4-ylpropan-2-one
CID 105436777
1-[3-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 121371166
1-(5,5-Difluoropiperidin-3-yl)ethanone
CID 121485777
1-[5-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 140418735
1-Amino-1-(1-fluoropiperidin-4-yl)propan-2-one
CID 142905732
Ethane;1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 144773722
1-(3,3-Difluoropiperidin-4-yl)-2-methylpropan-1-one
CID 146551420
1-(4,4-Difluoropiperidin-3-yl)-2-methylpropan-1-one
CID 146551835
3-(2-Ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one
CID 163485443

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one?
The IUPAC name of 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one (CID 69199406) is 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one?
The canonical SMILES for 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one is NC(C(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one?
The InChIKey is DTTVBUBNOUVMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)7(14)6(12)5-1-3-13-4-2-5/h5-6,13H,1-4,12H2.
What are the key properties of 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one?
3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-3-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 69199406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).