3-amino-6-(trifluoromethyl)piperidin-2-one

C6H9F3N2O — CID 43810944

IUPAC3-amino-6-(trifluoromethyl)piperidin-2-one
SMILESNC1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h3-4H,1-2,10H2,(H,11,12)
InChIKeyVJRHPNDTTZGATG-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.15
Rot. Bonds

About 3-amino-6-(trifluoromethyl)piperidin-2-one

3-amino-6-(trifluoromethyl)piperidin-2-one (PubChem CID 43810944) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-amino-6-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-6-(trifluoromethyl)piperidin-2-one
PubChem CID43810944
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name3-amino-6-(trifluoromethyl)piperidin-2-one
SMILESNC1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h3-4H,1-2,10H2,(H,11,12)
InChIKeyVJRHPNDTTZGATG-UHFFFAOYSA-N
XLogP0.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 3-amino-6-(trifluoromethyl)piperidin-2-one (CID 43810944) is 3-amino-6-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 3-amino-6-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 3-amino-6-(trifluoromethyl)piperidin-2-one is NC1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 3-amino-6-(trifluoromethyl)piperidin-2-one?
The InChIKey is VJRHPNDTTZGATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h3-4H,1-2,10H2,(H,11,12).
What are the key properties of 3-amino-6-(trifluoromethyl)piperidin-2-one?
3-amino-6-(trifluoromethyl)piperidin-2-one has a molecular weight of 182.14 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 43810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).