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

C11H21FN2O — CID 141468183

IUPAC(2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC(F)CC2)O1
InChIInChI=1S/C11H21FN2O/c1-9-6-13-7-11(15-9)8-14-4-2-10(12)3-5-14/h9-11,13H,2-8H2,1H3/t9-,11+/m1/s1
InChIKeyJMLSBYZHPFUEJW-KOLCDFICSA-N
MW216.30 g/mol
LogP0.80
Rot. Bonds2

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

(2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine (PubChem CID 141468183) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is (2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine
PubChem CID141468183
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name(2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC(F)CC2)O1
InChIInChI=1S/C11H21FN2O/c1-9-6-13-7-11(15-9)8-14-4-2-10(12)3-5-14/h9-11,13H,2-8H2,1H3/t9-,11+/m1/s1
InChIKeyJMLSBYZHPFUEJW-KOLCDFICSA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.80
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-fluoropiperidin-1-yl)methyl]-6-methylmorpholine?
The IUPAC name of (2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine (CID 141468183) is (2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine?
The canonical SMILES for (2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine is C[C@@H]1CNC[C@@H](CN2CCC(F)CC2)O1.
What is the InChIKey of (2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine?
The InChIKey is JMLSBYZHPFUEJW-KOLCDFICSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-9-6-13-7-11(15-9)8-14-4-2-10(12)3-5-14/h9-11,13H,2-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of (2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine?
(2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine has a molecular weight of 216.30 g/mol, XLogP of 0.80, 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-fluoropiperidin-1-yl)methyl]-6-methylmorpholine is sourced from PubChem (CID 141468183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).