(2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine

C11H20F2N2O — CID 141468194

IUPAC(2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC(F)(F)CC2)O1
InChIInChI=1S/C11H20F2N2O/c1-9-6-14-7-10(16-9)8-15-4-2-11(12,13)3-5-15/h9-10,14H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyJBZDVDCKTBBHBT-ZJUUUORDSA-N
MW234.29 g/mol
LogP1.09
Rot. Bonds2

About (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine

(2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine (PubChem CID 141468194) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine
PubChem CID141468194
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name(2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC(F)(F)CC2)O1
InChIInChI=1S/C11H20F2N2O/c1-9-6-14-7-10(16-9)8-15-4-2-11(12,13)3-5-15/h9-10,14H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyJBZDVDCKTBBHBT-ZJUUUORDSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine?
The IUPAC name of (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine (CID 141468194) is (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine?
The canonical SMILES for (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine is C[C@@H]1CNC[C@@H](CN2CCC(F)(F)CC2)O1.
What is the InChIKey of (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine?
The InChIKey is JBZDVDCKTBBHBT-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-9-6-14-7-10(16-9)8-15-4-2-11(12,13)3-5-15/h9-10,14H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine?
(2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine has a molecular weight of 234.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine is sourced from PubChem (CID 141468194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).