3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one

C9H15F3N2O — CID 60818049

IUPAC3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-13-7-2-4-14(5-3-7)8(15)6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyZMENRCKXPNBTPS-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds2

About 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 60818049) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID60818049
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-13-7-2-4-14(5-3-7)8(15)6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyZMENRCKXPNBTPS-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
2-cyclopropyl-3-oxo-3-[[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]amino]propanoic acid
CID 154865673
N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxamide
CID 126807373
1-(3-chloropyrrolidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 63397799
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653225
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine
CID 20641631

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one (CID 60818049) is 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is ZMENRCKXPNBTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-13-7-2-4-14(5-3-7)8(15)6-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 224.23 g/mol, XLogP of 1.15, 2 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-[4-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).