4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)

C25H34F6N2O6 — CID 118746586

IUPAC4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCN1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H32N2O2.2C2HF3O2/c1-17-3-4-19-18(15-17)20(23-10-13-25-14-11-23)16-21(19)5-7-22(8-6-21)9-12-24-2;2*3-2(4,5)1(6)7/h3-4,15,20H,5-14,16H2,1-2H3;2*(H,6,7)
InChIKeyLCMMMLVJSVKTDU-UHFFFAOYSA-N
MW572.54 g/mol
LogP4.02
Rot. Bonds4

About 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)

4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746586) has the molecular formula C25H34F6N2O6 and a molecular weight of 572.54 g/mol. Its IUPAC name is 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746586
Molecular FormulaC25H34F6N2O6
Molecular Weight572.54 g/mol
Exact Mass572.23
IUPAC Name4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESCOCCN1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C21H32N2O2.2C2HF3O2/c1-17-3-4-19-18(15-17)20(23-10-13-25-14-11-23)16-21(19)5-7-22(8-6-21)9-12-24-2;2*3-2(4,5)1(6)7/h3-4,15,20H,5-14,16H2,1-2H3;2*(H,6,7)
InChIKeyLCMMMLVJSVKTDU-UHFFFAOYSA-N
XLogP4.02
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738948
1-(5-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118742632
1-(6-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 118742634
4-[1'-(2-Methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine
CID 118746587
4-[1'-(2-Methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine
CID 118746589
1-(5-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118742631
1-(6-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 118742633
Cyclopropyl-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742638
2-[1-(Dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 118745800
4-[1'-(2-Methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 118746588
(1-Fluorocyclopropyl)-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 131688157
3-Fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 131690285

Frequently Asked Questions

What is the IUPAC name of 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid) (CID 118746586) is 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid) is COCCN1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LCMMMLVJSVKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.2C2HF3O2/c1-17-3-4-19-18(15-17)20(23-10-13-25-14-11-23)16-21(19)5-7-22(8-6-21)9-12-24-2;2*3-2(4,5)1(6)7/h3-4,15,20H,5-14,16H2,1-2H3;2*(H,6,7).
What are the key properties of 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid)?
4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 572.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1'-(2-methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).