1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine

C10H16F2N4O — CID 71272435

IUPAC1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2noc(C(C)(F)F)n2)CC1
InChIInChI=1S/C10H16F2N4O/c1-10(11,12)8-14-9(15-17-8)16-5-3-7(13-2)4-6-16/h7,13H,3-6H2,1-2H3
InChIKeyHNDCGBFSSDXXDB-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.37
Rot. Bonds3

About 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine

1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine (PubChem CID 71272435) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine
PubChem CID71272435
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2noc(C(C)(F)F)n2)CC1
InChIInChI=1S/C10H16F2N4O/c1-10(11,12)8-14-9(15-17-8)16-5-3-7(13-2)4-6-16/h7,13H,3-6H2,1-2H3
InChIKeyHNDCGBFSSDXXDB-UHFFFAOYSA-N
XLogP1.37
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine (CID 71272435) is 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine is CNC1CCN(c2noc(C(C)(F)F)n2)CC1.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine?
The InChIKey is HNDCGBFSSDXXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-10(11,12)8-14-9(15-17-8)16-5-3-7(13-2)4-6-16/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine?
1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine has a molecular weight of 246.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 71272435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).