1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone

C10H18F2N2O — CID 129178134

IUPAC1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(C)(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c1-8(15)14-5-3-9(4-6-14)13-7-10(2,11)12/h9,13H,3-7H2,1-2H3
InChIKeySXRCJVRSIWTVBA-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.24
Rot. Bonds3

About 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone

1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone (PubChem CID 129178134) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone
PubChem CID129178134
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(C)(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c1-8(15)14-5-3-9(4-6-14)13-7-10(2,11)12/h9,13H,3-7H2,1-2H3
InChIKeySXRCJVRSIWTVBA-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone (CID 129178134) is 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC(C)(F)F)CC1.
What is the InChIKey of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone?
The InChIKey is SXRCJVRSIWTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-8(15)14-5-3-9(4-6-14)13-7-10(2,11)12/h9,13H,3-7H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone?
1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone has a molecular weight of 220.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 129178134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).