N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide

C9H15F3N2O — CID 145107933

IUPACN-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCN1CCC(C)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-8(3-5-14(2)6-4-8)13-7(15)9(10,11)12/h3-6H2,1-2H3,(H,13,15)
InChIKeySDUUGLDDOPJJFX-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds1

About N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide

N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 145107933) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID145107933
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCN1CCC(C)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-8(3-5-14(2)6-4-8)13-7(15)9(10,11)12/h3-6H2,1-2H3,(H,13,15)
InChIKeySDUUGLDDOPJJFX-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 171561105
2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449261
2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449262
2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449279
N-ethyl-2,2,2-trifluoro-N-piperidin-4-ylacetamide
CID 19421916
N-(4-methylpiperidin-4-yl)acetamide
CID 19694931
2,2,2-trifluoro-N-methyl-N-piperidin-4-ylacetamide
CID 20569887
2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide
CID 21036994
2,2,2-trifluoro-N-(2-piperidin-4-ylpropan-2-yl)acetamide
CID 21036995
2,2,2-Trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 23297751

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide (CID 145107933) is N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide is CN1CCC(C)(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is SDUUGLDDOPJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-8(3-5-14(2)6-4-8)13-7(15)9(10,11)12/h3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 145107933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).