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

C21H31NO2 — CID 118738993

IUPAC1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCOCCN1CCC2(CC1)CC(OCC1CC1)c1ccc(C)cc12
InChIInChI=1S/C21H31NO2/c1-16-3-6-18-19(13-16)21(14-20(18)24-15-17-4-5-17)7-9-22(10-8-21)11-12-23-2/h3,6,13,17,20H,4-5,7-12,14-15H2,1-2H3
InChIKeyFWVDOLFKWQOAJB-UHFFFAOYSA-N
MW329.48 g/mol
LogP3.85
Rot. Bonds6

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

1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 118738993) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID118738993
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCOCCN1CCC2(CC1)CC(OCC1CC1)c1ccc(C)cc12
InChIInChI=1S/C21H31NO2/c1-16-3-6-18-19(13-16)21(14-20(18)24-15-17-4-5-17)7-9-22(10-8-21)11-12-23-2/h3,6,13,17,20H,4-5,7-12,14-15H2,1-2H3
InChIKeyFWVDOLFKWQOAJB-UHFFFAOYSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine] (CID 118738993) is 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine] is COCCN1CCC2(CC1)CC(OCC1CC1)c1ccc(C)cc12.
What is the InChIKey of 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is FWVDOLFKWQOAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-16-3-6-18-19(13-16)21(14-20(18)24-15-17-4-5-17)7-9-22(10-8-21)11-12-23-2/h3,6,13,17,20H,4-5,7-12,14-15H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 329.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-1'-(2-methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 118738993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).