1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]

C33H49N3 — CID 158110279

IUPAC1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCC(C)(C)N1CCC2(CC1)CNc1ccccc12.CC(C)(C)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C17H25N.C16H24N2/c1-16(2,3)18-12-10-17(11-13-18)9-8-14-6-4-5-7-15(14)17;1-15(2,3)18-10-8-16(9-11-18)12-17-14-7-5-4-6-13(14)16/h4-7H,8-13H2,1-3H3;4-7,17H,8-12H2,1-3H3
InChIKeyFQIQMDRERKFDJE-UHFFFAOYSA-N
MW487.78 g/mol
LogP7.01
Rot. Bonds

About 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]

1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 158110279) has the molecular formula C33H49N3 and a molecular weight of 487.78 g/mol. Its IUPAC name is 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID158110279
Molecular FormulaC33H49N3
Molecular Weight487.78 g/mol
Exact Mass487.39
IUPAC Name1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCC(C)(C)N1CCC2(CC1)CNc1ccccc12.CC(C)(C)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C17H25N.C16H24N2/c1-16(2,3)18-12-10-17(11-13-18)9-8-14-6-4-5-7-15(14)17;1-15(2,3)18-10-8-16(9-11-18)12-17-14-7-5-4-6-13(14)16/h4-7H,8-13H2,1-3H3;4-7,17H,8-12H2,1-3H3
InChIKeyFQIQMDRERKFDJE-UHFFFAOYSA-N
XLogP7.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.78
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine] with MolForge

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Related Compounds

ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
4-tert-butyl-2,3,5,6-tetrahydro-1H-1,4-benzodiazocine
CID 117016096
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
ethane;spiro[1,2-dihydroindene-3,3'-azetidine]
CID 155704532
ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 83853408
(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]
CID 124635965
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084

Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine] (CID 158110279) is 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine] is CC(C)(C)N1CCC2(CC1)CNc1ccccc12.CC(C)(C)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is FQIQMDRERKFDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.C16H24N2/c1-16(2,3)18-12-10-17(11-13-18)9-8-14-6-4-5-7-15(14)17;1-15(2,3)18-10-8-16(9-11-18)12-17-14-7-5-4-6-13(14)16/h4-7H,8-13H2,1-3H3;4-7,17H,8-12H2,1-3H3.
What are the key properties of 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]?
1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 487.78 g/mol, XLogP of 7.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 158110279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).