1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H26F2N2O — CID 126750240

IUPAC1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H26F2N2O/c1-14(2,3)13(20)19-8-4-12(5-9-19)18-10-6-15(16,17)7-11-18/h12H,4-11H2,1-3H3
InChIKeyYXGDYNSTXOFCEH-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.75
Rot. Bonds1

About 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750240) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750240
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC Name1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H26F2N2O/c1-14(2,3)13(20)19-8-4-12(5-9-19)18-10-6-15(16,17)7-11-18/h12H,4-11H2,1-3H3
InChIKeyYXGDYNSTXOFCEH-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 126750240) is 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is YXGDYNSTXOFCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O/c1-14(2,3)13(20)19-8-4-12(5-9-19)18-10-6-15(16,17)7-11-18/h12H,4-11H2,1-3H3.
What are the key properties of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 288.38 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).