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

C6H11FN2O — CID 14231037

IUPAC3-amino-3-(fluoromethyl)piperidin-2-one
SMILESNC1(CF)CCCNC1=O
InChIInChI=1S/C6H11FN2O/c7-4-6(8)2-1-3-9-5(6)10/h1-4,8H2,(H,9,10)
InChIKeyDSCLESASFJMNLI-UHFFFAOYSA-N
MW146.16 g/mol
LogP-0.44
Rot. Bonds1

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

3-amino-3-(fluoromethyl)piperidin-2-one (PubChem CID 14231037) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 3-amino-3-(fluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-3-(fluoromethyl)piperidin-2-one
PubChem CID14231037
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name3-amino-3-(fluoromethyl)piperidin-2-one
SMILESNC1(CF)CCCNC1=O
InChIInChI=1S/C6H11FN2O/c7-4-6(8)2-1-3-9-5(6)10/h1-4,8H2,(H,9,10)
InChIKeyDSCLESASFJMNLI-UHFFFAOYSA-N
XLogP-0.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(fluoromethyl)piperidin-2-one?
The IUPAC name of 3-amino-3-(fluoromethyl)piperidin-2-one (CID 14231037) is 3-amino-3-(fluoromethyl)piperidin-2-one.
What is the SMILES notation for 3-amino-3-(fluoromethyl)piperidin-2-one?
The canonical SMILES for 3-amino-3-(fluoromethyl)piperidin-2-one is NC1(CF)CCCNC1=O.
What is the InChIKey of 3-amino-3-(fluoromethyl)piperidin-2-one?
The InChIKey is DSCLESASFJMNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-4-6(8)2-1-3-9-5(6)10/h1-4,8H2,(H,9,10).
What are the key properties of 3-amino-3-(fluoromethyl)piperidin-2-one?
3-amino-3-(fluoromethyl)piperidin-2-one has a molecular weight of 146.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(fluoromethyl)piperidin-2-one is sourced from PubChem (CID 14231037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).