1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

C20H28FNO2 — CID 134079309

IUPAC1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCOCCN1CCC2(CC1)CC(OCC1CC1)c1ccc(F)cc12
InChIInChI=1S/C20H28FNO2/c1-23-11-10-22-8-6-20(7-9-22)13-19(24-14-15-2-3-15)17-5-4-16(21)12-18(17)20/h4-5,12,15,19H,2-3,6-11,13-14H2,1H3
InChIKeyQJAWNQMYDCRBCF-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.68
Rot. Bonds6

About 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]

1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 134079309) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID134079309
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC Name1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCOCCN1CCC2(CC1)CC(OCC1CC1)c1ccc(F)cc12
InChIInChI=1S/C20H28FNO2/c1-23-11-10-22-8-6-20(7-9-22)13-19(24-14-15-2-3-15)17-5-4-16(21)12-18(17)20/h4-5,12,15,19H,2-3,6-11,13-14H2,1H3
InChIKeyQJAWNQMYDCRBCF-UHFFFAOYSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine] with MolForge

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Related Compounds

1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738956
1-(5-Fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738957
1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738962
3-(Cyclopropylmethoxy)-6-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]
CID 118738978
3-(Cyclopropylmethoxy)-6-fluoro-2,3-dihydrospiro[indene-1,4'-piperidine]
CID 118738981
1-(Cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 118738993
2-(1-Ethoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanol
CID 118739108
1-[1-(Cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
CID 131656922
2-(5-Fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid
CID 134078077
4-[[3-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]methyl]morpholine
CID 18922342
4-[[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]methyl]morpholine
CID 22885678
4-[[(1S,2S,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]methyl]morpholine
CID 22885713

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 134079309) is 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is COCCN1CCC2(CC1)CC(OCC1CC1)c1ccc(F)cc12.
What is the InChIKey of 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is QJAWNQMYDCRBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO2/c1-23-11-10-22-8-6-20(7-9-22)13-19(24-14-15-2-3-15)17-5-4-16(21)12-18(17)20/h4-5,12,15,19H,2-3,6-11,13-14H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 333.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-5-fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 134079309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).