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

C10H17FN4O — CID 67630064

IUPAC1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESCC(C)(F)c1noc(N2CCC(N)CC2)n1
InChIInChI=1S/C10H17FN4O/c1-10(2,11)8-13-9(16-14-8)15-5-3-7(12)4-6-15/h7H,3-6,12H2,1-2H3
InChIKeyVDBYKUVRDINSAV-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.20
Rot. Bonds2

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

1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (PubChem CID 67630064) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
PubChem CID67630064
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESCC(C)(F)c1noc(N2CCC(N)CC2)n1
InChIInChI=1S/C10H17FN4O/c1-10(2,11)8-13-9(16-14-8)15-5-3-7(12)4-6-15/h7H,3-6,12H2,1-2H3
InChIKeyVDBYKUVRDINSAV-UHFFFAOYSA-N
XLogP1.20
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The IUPAC name of 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (CID 67630064) is 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is CC(C)(F)c1noc(N2CCC(N)CC2)n1.
What is the InChIKey of 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The InChIKey is VDBYKUVRDINSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-10(2,11)8-13-9(16-14-8)15-5-3-7(12)4-6-15/h7H,3-6,12H2,1-2H3.
What are the key properties of 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine has a molecular weight of 228.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is sourced from PubChem (CID 67630064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).