(2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine

C12H23FN2O — CID 126517742

IUPAC(2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCN(C)C[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C12H23FN2O/c1-9-6-15(7-10(2)16-9)12-4-5-14(3)8-11(12)13/h9-12H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKeyISZWJRLFGLPOSO-WHOHXGKFSA-N
MW230.33 g/mol
LogP1.14
Rot. Bonds1

About (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 126517742) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID126517742
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name(2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCN(C)C[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C12H23FN2O/c1-9-6-15(7-10(2)16-9)12-4-5-14(3)8-11(12)13/h9-12H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKeyISZWJRLFGLPOSO-WHOHXGKFSA-N
XLogP1.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine (CID 126517742) is (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN([C@@H]2CCN(C)C[C@@H]2F)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is ISZWJRLFGLPOSO-WHOHXGKFSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-9-6-15(7-10(2)16-9)12-4-5-14(3)8-11(12)13/h9-12H,4-8H2,1-3H3/t9-,10+,11-,12+/m0/s1.
What are the key properties of (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 230.33 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 126517742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).