(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium

C16H25FNO2+ — CID 2184520

IUPAC(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C16H24FNO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/p+1/t13-,14+
InChIKeyGQHHYJDZVGBDKK-OKILXGFUSA-O
MW282.38 g/mol
LogP1.68
Rot. Bonds6

About (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium

(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 2184520) has the molecular formula C16H25FNO2+ and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
PubChem CID2184520
Molecular FormulaC16H25FNO2+
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
SMILESC[C@@H]1C[NH+](CCCCOc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C16H24FNO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/p+1/t13-,14+
InChIKeyGQHHYJDZVGBDKK-OKILXGFUSA-O
XLogP1.68
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenoxy)butyl]-3,5-dimethylpiperidin-1-ium chloride
CID 44655913
1-[4-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]ethanone
CID 7380320
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
CID 7410765
(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2183448
1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
CID 2248273
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
(2S,6R)-2,6-dimethyl-4-[4-(2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2183046
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
(2R,6R)-4-[4-(2-tert-butyl-4-methylphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181612
4-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzonitrile
CID 7394525

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium (CID 2184520) is (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium is C[C@@H]1C[NH+](CCCCOc2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is GQHHYJDZVGBDKK-OKILXGFUSA-O. The full InChI is InChI=1S/C16H24FNO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/p+1/t13-,14+.
What are the key properties of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 282.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 2184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).