2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C11H19F3N2O — CID 54936191

IUPAC2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(C)NCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-8(2)15-6-10(17)16-5-3-4-9(7-16)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyPJVZCHHMKIJJEK-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds3

About 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 54936191) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID54936191
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(C)NCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-8(2)15-6-10(17)16-5-3-4-9(7-16)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyPJVZCHHMKIJJEK-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 54936191) is 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is CC(C)NCC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is PJVZCHHMKIJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)15-6-10(17)16-5-3-4-9(7-16)11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 252.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 54936191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).