N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C10H15F3N4O — CID 106393580

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ncon2)CC1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)6-17-3-1-8(2-4-17)14-5-9-15-7-18-16-9/h7-8,14H,1-6H2
InChIKeySSOCMGIRCQYHJC-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.19
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 106393580) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID106393580
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ncon2)CC1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)6-17-3-1-8(2-4-17)14-5-9-15-7-18-16-9/h7-8,14H,1-6H2
InChIKeySSOCMGIRCQYHJC-UHFFFAOYSA-N
XLogP1.19
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 106393580) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2ncon2)CC1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is SSOCMGIRCQYHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c11-10(12,13)6-17-3-1-8(2-4-17)14-5-9-15-7-18-16-9/h7-8,14H,1-6H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 264.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 106393580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).