2-amino-2-(difluoromethyl)piperidin-3-one

C6H10F2N2O — CID 19757686

IUPAC2-amino-2-(difluoromethyl)piperidin-3-one
SMILESNC1(C(F)F)NCCCC1=O
InChIInChI=1S/C6H10F2N2O/c7-5(8)6(9)4(11)2-1-3-10-6/h5,10H,1-3,9H2
InChIKeyWSBZMMDTKFVTLX-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.14
Rot. Bonds1

About 2-amino-2-(difluoromethyl)piperidin-3-one

2-amino-2-(difluoromethyl)piperidin-3-one (PubChem CID 19757686) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-amino-2-(difluoromethyl)piperidin-3-one.

Molecular Properties

Compound Name2-amino-2-(difluoromethyl)piperidin-3-one
PubChem CID19757686
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name2-amino-2-(difluoromethyl)piperidin-3-one
SMILESNC1(C(F)F)NCCCC1=O
InChIInChI=1S/C6H10F2N2O/c7-5(8)6(9)4(11)2-1-3-10-6/h5,10H,1-3,9H2
InChIKeyWSBZMMDTKFVTLX-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(difluoromethyl)piperidin-3-one?
The IUPAC name of 2-amino-2-(difluoromethyl)piperidin-3-one (CID 19757686) is 2-amino-2-(difluoromethyl)piperidin-3-one.
What is the SMILES notation for 2-amino-2-(difluoromethyl)piperidin-3-one?
The canonical SMILES for 2-amino-2-(difluoromethyl)piperidin-3-one is NC1(C(F)F)NCCCC1=O.
What is the InChIKey of 2-amino-2-(difluoromethyl)piperidin-3-one?
The InChIKey is WSBZMMDTKFVTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-5(8)6(9)4(11)2-1-3-10-6/h5,10H,1-3,9H2.
What are the key properties of 2-amino-2-(difluoromethyl)piperidin-3-one?
2-amino-2-(difluoromethyl)piperidin-3-one has a molecular weight of 164.16 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(difluoromethyl)piperidin-3-one is sourced from PubChem (CID 19757686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).