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

C10H17ClF2N4O — CID 71272632

IUPAC1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(c2noc(C(C)(F)F)n2)CC1.Cl
InChIInChI=1S/C10H16F2N4O.ClH/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;1H
InChIKeyKFNSXGVFZYYZRW-UHFFFAOYSA-N
MW282.72 g/mol
LogP1.79
Rot. Bonds3

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

1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 71272632) has the molecular formula C10H17ClF2N4O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride
PubChem CID71272632
Molecular FormulaC10H17ClF2N4O
Molecular Weight282.72 g/mol
Exact Mass282.11
IUPAC Name1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(c2noc(C(C)(F)F)n2)CC1.Cl
InChIInChI=1S/C10H16F2N4O.ClH/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;1H
InChIKeyKFNSXGVFZYYZRW-UHFFFAOYSA-N
XLogP1.79
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 51.79
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;hydrochloride?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride (CID 71272632) is 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(c2noc(C(C)(F)F)n2)CC1.Cl.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is KFNSXGVFZYYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O.ClH/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;1H.
What are the key properties of 1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride?
1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 282.72 g/mol, XLogP of 1.79, 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;hydrochloride is sourced from PubChem (CID 71272632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).