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

C12H23FN2O — CID 156503623

IUPAC(2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CC2(F)CCNCC2)C[C@H](C)O1
InChIInChI=1S/C12H23FN2O/c1-10-7-15(8-11(2)16-10)9-12(13)3-5-14-6-4-12/h10-11,14H,3-9H2,1-2H3/t10-,11+
InChIKeyRGIVBDBUXOVODE-PHIMTYICSA-N
MW230.33 g/mol
LogP1.19
Rot. Bonds2

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

(2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 156503623) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine
PubChem CID156503623
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name(2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CC2(F)CCNCC2)C[C@H](C)O1
InChIInChI=1S/C12H23FN2O/c1-10-7-15(8-11(2)16-10)9-12(13)3-5-14-6-4-12/h10-11,14H,3-9H2,1-2H3/t10-,11+
InChIKeyRGIVBDBUXOVODE-PHIMTYICSA-N
XLogP1.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine (CID 156503623) is (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(CC2(F)CCNCC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is RGIVBDBUXOVODE-PHIMTYICSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-10-7-15(8-11(2)16-10)9-12(13)3-5-14-6-4-12/h10-11,14H,3-9H2,1-2H3/t10-,11+.
What are the key properties of (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 230.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(4-fluoropiperidin-4-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 156503623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).