N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

C12H19F3N4O — CID 106962467

IUPACN-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(N2CCCC(C(F)(F)F)C2)o1
InChIInChI=1S/C12H19F3N4O/c1-8(2)16-6-10-17-18-11(20-10)19-5-3-4-9(7-19)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyLWECMMTYIKQFKA-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.35
Rot. Bonds4

About N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 106962467) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID106962467
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC NameN-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(N2CCCC(C(F)(F)F)C2)o1
InChIInChI=1S/C12H19F3N4O/c1-8(2)16-6-10-17-18-11(20-10)19-5-3-4-9(7-19)12(13,14)15/h8-9,16H,3-7H2,1-2H3
InChIKeyLWECMMTYIKQFKA-UHFFFAOYSA-N
XLogP2.35
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 106962467) is N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(N2CCCC(C(F)(F)F)C2)o1.
What is the InChIKey of N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is LWECMMTYIKQFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-8(2)16-6-10-17-18-11(20-10)19-5-3-4-9(7-19)12(13,14)15/h8-9,16H,3-7H2,1-2H3.
What are the key properties of N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 292.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106962467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).