[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine

C9H13F3N4O — CID 106962468

IUPAC[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(N2CCCC(C(F)(F)F)C2)o1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)6-2-1-3-16(5-6)8-15-14-7(4-13)17-8/h6H,1-5,13H2
InChIKeyFFPDNEZPOXEAGH-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.31
Rot. Bonds2

About [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106962468) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106962468
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(N2CCCC(C(F)(F)F)C2)o1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)6-2-1-3-16(5-6)8-15-14-7(4-13)17-8/h6H,1-5,13H2
InChIKeyFFPDNEZPOXEAGH-UHFFFAOYSA-N
XLogP1.31
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine (CID 106962468) is [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(N2CCCC(C(F)(F)F)C2)o1.
What is the InChIKey of [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is FFPDNEZPOXEAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c10-9(11,12)6-2-1-3-16(5-6)8-15-14-7(4-13)17-8/h6H,1-5,13H2.
What are the key properties of [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 250.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106962468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).