[4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate

C9H15F3N2O2 — CID 57481580

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCNC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-8(13-2)3-5-14(6-4-8)16-7(15)9(10,11)12/h13H,3-6H2,1-2H3
InChIKeyVOYFUOVAEPBLNJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.08
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 57481580) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID57481580
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCNC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-8(13-2)3-5-14(6-4-8)16-7(15)9(10,11)12/h13H,3-6H2,1-2H3
InChIKeyVOYFUOVAEPBLNJ-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 67240702
[4-(Acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68875026
4-Methyl-1-oxidopiperidin-1-ium;2,2,2-trifluoroacetic acid
CID 87894399
(Piperidin-4-ylamino) 2,2,2-trifluoroacetate
CID 91529738
[(4-Fluoropiperidin-4-yl)methylamino] 2,2,2-trifluoroacetate
CID 166758807
[4-[(2,2,2-Trifluoroethylamino)methyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174695163
(4-Amino-3,3-difluoropiperidin-1-yl) 2,2-dimethylpropanoate
CID 174714214
(4-Aminopiperidin-1-yl) 2,2,2-trifluoroacetate
CID 174895497
[4-(2-Aminoethyl)-3,3-difluoropiperidin-1-yl] 2,2-dimethylpropanoate
CID 174927109
(1-Piperidin-4-ylethylamino) 2,2,2-trifluoroacetate
CID 175189388
(2,2-Dimethylpiperazin-1-yl) 2,2,2-trifluoroacetate
CID 178651702
[(4-Methylpiperidin-4-yl)amino] 2,2-dimethylpropanoate
CID 175406247

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 57481580) is [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate is CNC1(C)CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is VOYFUOVAEPBLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(13-2)3-5-14(6-4-8)16-7(15)9(10,11)12/h13H,3-6H2,1-2H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 240.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 57481580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).