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

C10H15F3N4O — CID 106962485

IUPAC1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C10H15F3N4O/c1-6(14)8-15-16-9(18-8)17-4-2-7(3-5-17)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyQIPQRCPCMJEYNR-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.87
Rot. Bonds2

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

1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106962485) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106962485
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C10H15F3N4O/c1-6(14)8-15-16-9(18-8)17-4-2-7(3-5-17)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyQIPQRCPCMJEYNR-UHFFFAOYSA-N
XLogP1.87
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960819
1-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]ethanol
CID 106964033
2-(4-tert-butylpiperidin-1-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 106957511
N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106962492
1-[5-(2-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106969179
2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 106956357
1-[5-(3-tert-butylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106964319
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-1,4-diazepan-2-one
CID 106961846
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967755
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole
CID 137337107
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
CID 139316134

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 106962485) is 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(N2CCC(C(F)(F)F)CC2)o1.
What is the InChIKey of 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QIPQRCPCMJEYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(14)8-15-16-9(18-8)17-4-2-7(3-5-17)10(11,12)13/h6-7H,2-5,14H2,1H3.
What are the key properties of 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 264.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106962485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).