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

C6H10F2N2O — CID 574631

IUPAC3-amino-3-(difluoromethyl)piperidin-2-one
SMILESNC1(C(F)F)CCCNC1=O
InChIInChI=1S/C6H10F2N2O/c7-4(8)6(9)2-1-3-10-5(6)11/h4H,1-3,9H2,(H,10,11)
InChIKeyKATOCNXVWLJLIU-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.14
Rot. Bonds1

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

3-amino-3-(difluoromethyl)piperidin-2-one (PubChem CID 574631) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-amino-3-(difluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-3-(difluoromethyl)piperidin-2-one
PubChem CID574631
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name3-amino-3-(difluoromethyl)piperidin-2-one
SMILESNC1(C(F)F)CCCNC1=O
InChIInChI=1S/C6H10F2N2O/c7-4(8)6(9)2-1-3-10-5(6)11/h4H,1-3,9H2,(H,10,11)
InChIKeyKATOCNXVWLJLIU-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

3-Amino-3-methyl-2-piperidone
CID 10975503
5-(Trifluoromethyl)piperidin-2-one
CID 16228088
3-(Trifluoromethyl)piperidin-2-one
CID 42944935
3-Amino-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 64238355
2-oxo-N-{2-[(trifluoroacetyl)amino]ethyl}piperidine-3-carboxamide
CID 2911644
(3S,5S)-3-amino-5-fluoropiperidin-2-one hydrochloride
CID 167722894
Propanamide, N-[3-(difluoromethyl)-2-oxo-3-piperidyl]-2,2,3,3,3-pentafluoro-
CID 533937
Butanamide, N-[3-(difluoromethyl)-2-oxo-3-piperidyl], heptafluoro-
CID 549839
3-Amino-3-fluoromethyl-2-piperidone
CID 14231037
3-Amino-3-(difluoromethyl)piperidin-2-one;hydrochloride
CID 19966328
Actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide
CID 22946550
(R)-5-(Trifluoromethyl)-2-piperidone
CID 28330598

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(difluoromethyl)piperidin-2-one?
The IUPAC name of 3-amino-3-(difluoromethyl)piperidin-2-one (CID 574631) is 3-amino-3-(difluoromethyl)piperidin-2-one.
What is the SMILES notation for 3-amino-3-(difluoromethyl)piperidin-2-one?
The canonical SMILES for 3-amino-3-(difluoromethyl)piperidin-2-one is NC1(C(F)F)CCCNC1=O.
What is the InChIKey of 3-amino-3-(difluoromethyl)piperidin-2-one?
The InChIKey is KATOCNXVWLJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-4(8)6(9)2-1-3-10-5(6)11/h4H,1-3,9H2,(H,10,11).
What are the key properties of 3-amino-3-(difluoromethyl)piperidin-2-one?
3-amino-3-(difluoromethyl)piperidin-2-one has a molecular weight of 164.16 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(difluoromethyl)piperidin-2-one is sourced from PubChem (CID 574631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).