1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one

C11H20F2N2O — CID 123847610

IUPAC1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one
SMILESCCC(CC(=O)N1CCC(F)(F)CC1)NC
InChIInChI=1S/C11H20F2N2O/c1-3-9(14-2)8-10(16)15-6-4-11(12,13)5-7-15/h9,14H,3-8H2,1-2H3
InChIKeyDONOCOMJBMQFLT-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.63
Rot. Bonds4

About 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one

1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one (PubChem CID 123847610) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one
PubChem CID123847610
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one
SMILESCCC(CC(=O)N1CCC(F)(F)CC1)NC
InChIInChI=1S/C11H20F2N2O/c1-3-9(14-2)8-10(16)15-6-4-11(12,13)5-7-15/h9,14H,3-8H2,1-2H3
InChIKeyDONOCOMJBMQFLT-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one (CID 123847610) is 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one is CCC(CC(=O)N1CCC(F)(F)CC1)NC.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one?
The InChIKey is DONOCOMJBMQFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-3-9(14-2)8-10(16)15-6-4-11(12,13)5-7-15/h9,14H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one?
1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one has a molecular weight of 234.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-3-(methylamino)pentan-1-one is sourced from PubChem (CID 123847610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).