6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]

C17H26N2 — CID 83853408

IUPAC6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CNc1cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H26N2/c1-16(2,3)13-5-6-14-15(11-13)18-12-17(14)7-9-19(4)10-8-17/h5-6,11,18H,7-10,12H2,1-4H3
InChIKeyKNSUTAYPVGEPQN-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.37
Rot. Bonds

About 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]

6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 83853408) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID83853408
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CNc1cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H26N2/c1-16(2,3)13-5-6-14-15(11-13)18-12-17(14)7-9-19(4)10-8-17/h5-6,11,18H,7-10,12H2,1-4H3
InChIKeyKNSUTAYPVGEPQN-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-1,4-dimethylpiperidine
CID 118133394
(3R)-5-chloro-1'-methylspiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 70993859
1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 106701715
6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 176615898
8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
CID 176701513
6-fluorospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115024124
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
CID 112710647
tert-butyl spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylate
CID 118202663
tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158335824
1,1'-dimethyl-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 70927045
5-tert-butyl-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701782

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine] (CID 83853408) is 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine] is CN1CCC2(CC1)CNc1cc(C(C)(C)C)ccc12.
What is the InChIKey of 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is KNSUTAYPVGEPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-16(2,3)13-5-6-14-15(11-13)18-12-17(14)7-9-19(4)10-8-17/h5-6,11,18H,7-10,12H2,1-4H3.
What are the key properties of 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 258.41 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 83853408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).