(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine

C20H29FN2O3 — CID 100855691

IUPAC(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C[C@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@@H](C)O1
InChIInChI=1S/C20H29FN2O3/c1-14-8-22(9-15(2)26-14)11-19-4-3-5-23(19)10-16-6-18(21)7-17-12-24-13-25-20(16)17/h6-7,14-15,19H,3-5,8-13H2,1-2H3/t14-,15-,19-/m1/s1
InChIKeyCQWAJYFDXVJSGK-SPYBWZPUSA-N
MW364.46 g/mol
LogP2.77
Rot. Bonds4

About (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine

(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 100855691) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
PubChem CID100855691
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C[C@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@@H](C)O1
InChIInChI=1S/C20H29FN2O3/c1-14-8-22(9-15(2)26-14)11-19-4-3-5-23(19)10-16-6-18(21)7-17-12-24-13-25-20(16)17/h6-7,14-15,19H,3-5,8-13H2,1-2H3/t14-,15-,19-/m1/s1
InChIKeyCQWAJYFDXVJSGK-SPYBWZPUSA-N
XLogP2.77
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

2-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidine
CID 51339351
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
CID 47012412
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-ethylpiperidine
CID 47006660
4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one
CID 47810477
2-benzyl-1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidine
CID 43045996
1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249921
(5R)-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-methoxyphenyl)-5-methyl-1,4-diazepane
CID 100715861
6-[[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 100848655
[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 47012409
N-ethyl-N'-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119130063
2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 52506437
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 17482114

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine (CID 100855691) is (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is CQWAJYFDXVJSGK-SPYBWZPUSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-14-8-22(9-15(2)26-14)11-19-4-3-5-23(19)10-16-6-18(21)7-17-12-24-13-25-20(16)17/h6-7,14-15,19H,3-5,8-13H2,1-2H3/t14-,15-,19-/m1/s1.
What are the key properties of (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 364.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[[(2R)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 100855691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).