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

C9H13F3N4O — CID 122565038

IUPAC1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)8-14-7(17-15-8)5-16-3-1-2-6(13)4-16/h6H,1-5,13H2
InChIKeyVDNGRARVRZUHAP-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.01
Rot. Bonds2

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

1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (PubChem CID 122565038) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
PubChem CID122565038
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)8-14-7(17-15-8)5-16-3-1-2-6(13)4-16/h6H,1-5,13H2
InChIKeyVDNGRARVRZUHAP-UHFFFAOYSA-N
XLogP1.01
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 53612855
1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 54592652
[3-(Piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine dihydrochloride
CID 91662942
2-methyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 45826385
N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 54592600
5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 126770365
5-(Piperazin-1-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 55057881
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 70796174
N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 82008290
5-(Piperazin-1-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008644

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (CID 122565038) is 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is NC1CCCN(Cc2nc(C(F)(F)F)no2)C1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The InChIKey is VDNGRARVRZUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c10-9(11,12)8-14-7(17-15-8)5-16-3-1-2-6(13)4-16/h6H,1-5,13H2.
What are the key properties of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine has a molecular weight of 250.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 122565038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).