2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine

C10H15F2N3O — CID 118297281

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
SMILESNCC(c1cnco1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9/h6-8H,1-5,13H2
InChIKeyJYQUISIKMJYTTI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.41
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine (PubChem CID 118297281) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
PubChem CID118297281
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
SMILESNCC(c1cnco1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9/h6-8H,1-5,13H2
InChIKeyJYQUISIKMJYTTI-UHFFFAOYSA-N
XLogP1.41
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine (CID 118297281) is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine is NCC(c1cnco1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
The InChIKey is JYQUISIKMJYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9/h6-8H,1-5,13H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine has a molecular weight of 231.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine is sourced from PubChem (CID 118297281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).