N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide

C9H15F3N2O — CID 83023848

IUPACN-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide
SMILESCC1CCCC(C)N1NC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6-4-3-5-7(2)14(6)13-8(15)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyPJMNQTWXEWPUQT-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.84
Rot. Bonds1

About N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide

N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide (PubChem CID 83023848) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide
PubChem CID83023848
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide
SMILESCC1CCCC(C)N1NC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-6-4-3-5-7(2)14(6)13-8(15)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyPJMNQTWXEWPUQT-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide (CID 83023848) is N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide is CC1CCCC(C)N1NC(=O)C(F)(F)F.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
The InChIKey is PJMNQTWXEWPUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6-4-3-5-7(2)14(6)13-8(15)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.23 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 83023848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).