4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

C9H15F3N2O — CID 126789756

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCC1CCN(CC(F)(F)F)C(C(N)=O)C1
InChIInChI=1S/C9H15F3N2O/c1-6-2-3-14(5-9(10,11)12)7(4-6)8(13)15/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyWOIRSIKZTBOWGJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.13
Rot. Bonds2

About 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide

4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (PubChem CID 126789756) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
PubChem CID126789756
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCC1CCN(CC(F)(F)F)C(C(N)=O)C1
InChIInChI=1S/C9H15F3N2O/c1-6-2-3-14(5-9(10,11)12)7(4-6)8(13)15/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyWOIRSIKZTBOWGJ-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (CID 126789756) is 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is CC1CCN(CC(F)(F)F)C(C(N)=O)C1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The InChIKey is WOIRSIKZTBOWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6-2-3-14(5-9(10,11)12)7(4-6)8(13)15/h6-7H,2-5H2,1H3,(H2,13,15).
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is sourced from PubChem (CID 126789756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).