3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one

C12H18F6N2O — CID 103308959

IUPAC3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESCCCNC1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C12H18F6N2O/c1-2-5-19-8-4-3-6-20(7-8)10(21)9(11(13,14)15)12(16,17)18/h8-9,19H,2-7H2,1H3
InChIKeyHLJRCNYKVJYZQM-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.72
Rot. Bonds4

About 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one (PubChem CID 103308959) has the molecular formula C12H18F6N2O and a molecular weight of 320.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
PubChem CID103308959
Molecular FormulaC12H18F6N2O
Molecular Weight320.28 g/mol
Exact Mass320.13
IUPAC Name3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
SMILESCCCNC1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C12H18F6N2O/c1-2-5-19-8-4-3-6-20(7-8)10(21)9(11(13,14)15)12(16,17)18/h8-9,19H,2-7H2,1H3
InChIKeyHLJRCNYKVJYZQM-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956
3,3,3-trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310164
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310265
2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995807
3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992254
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
CID 71047048
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone
CID 112735515
3,3,3-trifluoro-1-(3-hydroxyazetidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 103310173

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one (CID 103308959) is 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one is CCCNC1CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
The InChIKey is HLJRCNYKVJYZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O/c1-2-5-19-8-4-3-6-20(7-8)10(21)9(11(13,14)15)12(16,17)18/h8-9,19H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one has a molecular weight of 320.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103308959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).