(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine

C11H21FN2O — CID 118406808

IUPAC(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCNC[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C11H21FN2O/c1-8-6-14(7-9(2)15-8)11-3-4-13-5-10(11)12/h8-11,13H,3-7H2,1-2H3/t8-,9+,10-,11+/m0/s1
InChIKeySSOKJKBMAHDJOG-ZRUFSTJUSA-N
MW216.30 g/mol
LogP0.80
Rot. Bonds1

About (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 118406808) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID118406808
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCNC[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C11H21FN2O/c1-8-6-14(7-9(2)15-8)11-3-4-13-5-10(11)12/h8-11,13H,3-7H2,1-2H3/t8-,9+,10-,11+/m0/s1
InChIKeySSOKJKBMAHDJOG-ZRUFSTJUSA-N
XLogP0.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine (CID 118406808) is (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN([C@@H]2CCNC[C@@H]2F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is SSOKJKBMAHDJOG-ZRUFSTJUSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-8-6-14(7-9(2)15-8)11-3-4-13-5-10(11)12/h8-11,13H,3-7H2,1-2H3/t8-,9+,10-,11+/m0/s1.
What are the key properties of (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 216.30 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 118406808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).