3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane

C15H28F2N2O2 — CID 138525344

IUPAC3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane
SMILESCC(C)OC1CCN(C(C)(C)N2CCCOC2)CC1(F)F
InChIInChI=1S/C15H28F2N2O2/c1-12(2)21-13-6-8-18(10-15(13,16)17)14(3,4)19-7-5-9-20-11-19/h12-13H,5-11H2,1-4H3
InChIKeyOZTSZTXHIZOGNU-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.54
Rot. Bonds4

About 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane

3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane (PubChem CID 138525344) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane.

Molecular Properties

Compound Name3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane
PubChem CID138525344
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Name3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane
SMILESCC(C)OC1CCN(C(C)(C)N2CCCOC2)CC1(F)F
InChIInChI=1S/C15H28F2N2O2/c1-12(2)21-13-6-8-18(10-15(13,16)17)14(3,4)19-7-5-9-20-11-19/h12-13H,5-11H2,1-4H3
InChIKeyOZTSZTXHIZOGNU-UHFFFAOYSA-N
XLogP2.54
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane?
The IUPAC name of 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane (CID 138525344) is 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane.
What is the SMILES notation for 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane?
The canonical SMILES for 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane is CC(C)OC1CCN(C(C)(C)N2CCCOC2)CC1(F)F.
What is the InChIKey of 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane?
The InChIKey is OZTSZTXHIZOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-12(2)21-13-6-8-18(10-15(13,16)17)14(3,4)19-7-5-9-20-11-19/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane?
3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane has a molecular weight of 306.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)propan-2-yl]-1,3-oxazinane is sourced from PubChem (CID 138525344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).