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

C13H21F3N4O — CID 106962476

IUPAC2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(N2CCCC(C(F)(F)F)C2)o1
InChIInChI=1S/C13H21F3N4O/c1-12(2,3)17-7-10-18-19-11(21-10)20-6-4-5-9(8-20)13(14,15)16/h9,17H,4-8H2,1-3H3
InChIKeyPGFKVKIUSOSNLP-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.74
Rot. Bonds3

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

2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 106962476) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID106962476
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(N2CCCC(C(F)(F)F)C2)o1
InChIInChI=1S/C13H21F3N4O/c1-12(2,3)17-7-10-18-19-11(21-10)20-6-4-5-9(8-20)13(14,15)16/h9,17H,4-8H2,1-3H3
InChIKeyPGFKVKIUSOSNLP-UHFFFAOYSA-N
XLogP2.74
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959479
[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 106962468
N-[[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106962406
1-[5-(4-tert-butylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962132
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106965699
2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106962492
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
CID 106963185
N-[[5-(3-methoxy-3-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 107396649
[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol
CID 106965807
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 106962476) is 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(N2CCCC(C(F)(F)F)C2)o1.
What is the InChIKey of 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is PGFKVKIUSOSNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-12(2,3)17-7-10-18-19-11(21-10)20-6-4-5-9(8-20)13(14,15)16/h9,17H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 306.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106962476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).