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

C11H17F3N4O — CID 146121185

IUPACN,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
SMILESCN(C)C1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C11H17F3N4O/c1-17(2)8-4-3-5-18(6-8)7-9-15-16-10(19-9)11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyZMFBLQYFPVMGIM-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.61
Rot. Bonds3

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

N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine (PubChem CID 146121185) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
PubChem CID146121185
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
SMILESCN(C)C1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C11H17F3N4O/c1-17(2)8-4-3-5-18(6-8)7-9-15-16-10(19-9)11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyZMFBLQYFPVMGIM-UHFFFAOYSA-N
XLogP1.61
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine (CID 146121185) is N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine is CN(C)C1CCCN(Cc2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine?
The InChIKey is ZMFBLQYFPVMGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-17(2)8-4-3-5-18(6-8)7-9-15-16-10(19-9)11(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine?
N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine has a molecular weight of 278.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 146121185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).