4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine

C15H28F2N2O — CID 130420370

IUPAC4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine
SMILESCC(C)(N1CCOCC1)C(C)(C)N1CCC(F)(F)CC1
InChIInChI=1S/C15H28F2N2O/c1-13(2,18-7-5-15(16,17)6-8-18)14(3,4)19-9-11-20-12-10-19/h5-12H2,1-4H3
InChIKeyQBBQGPAKTIJGCJ-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.61
Rot. Bonds3

About 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine

4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine (PubChem CID 130420370) has the molecular formula C15H28F2N2O and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine
PubChem CID130420370
Molecular FormulaC15H28F2N2O
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine
SMILESCC(C)(N1CCOCC1)C(C)(C)N1CCC(F)(F)CC1
InChIInChI=1S/C15H28F2N2O/c1-13(2,18-7-5-15(16,17)6-8-18)14(3,4)19-9-11-20-12-10-19/h5-12H2,1-4H3
InChIKeyQBBQGPAKTIJGCJ-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine?
The IUPAC name of 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine (CID 130420370) is 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine?
The canonical SMILES for 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine is CC(C)(N1CCOCC1)C(C)(C)N1CCC(F)(F)CC1.
What is the InChIKey of 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine?
The InChIKey is QBBQGPAKTIJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O/c1-13(2,18-7-5-15(16,17)6-8-18)14(3,4)19-9-11-20-12-10-19/h5-12H2,1-4H3.
What are the key properties of 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine?
4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine has a molecular weight of 290.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]morpholine is sourced from PubChem (CID 130420370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).