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

C11H17F3N4O — CID 106962492

IUPACN-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(N2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C11H17F3N4O/c1-2-15-7-9-16-17-10(19-9)18-5-3-8(4-6-18)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyVVFLRRFWTCNUAC-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.96
Rot. Bonds4

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

N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 106962492) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID106962492
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(N2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C11H17F3N4O/c1-2-15-7-9-16-17-10(19-9)18-5-3-8(4-6-18)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyVVFLRRFWTCNUAC-UHFFFAOYSA-N
XLogP1.96
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 106962492) is N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(N2CCC(C(F)(F)F)CC2)o1.
What is the InChIKey of N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is VVFLRRFWTCNUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-2-15-7-9-16-17-10(19-9)18-5-3-8(4-6-18)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 278.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106962492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).