1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]

C21H26N2 — CID 83980538

IUPAC1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]
SMILESCc1cc2c(cc1C)C1(CCNCC1)CN2Cc1ccccc1
InChIInChI=1S/C21H26N2/c1-16-12-19-20(13-17(16)2)23(14-18-6-4-3-5-7-18)15-21(19)8-10-22-11-9-21/h3-7,12-13,22H,8-11,14-15H2,1-2H3
InChIKeyQKNJDGKHWAGWLA-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.94
Rot. Bonds2

About 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]

1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine] (PubChem CID 83980538) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]
PubChem CID83980538
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]
SMILESCc1cc2c(cc1C)C1(CCNCC1)CN2Cc1ccccc1
InChIInChI=1S/C21H26N2/c1-16-12-19-20(13-17(16)2)23(14-18-6-4-3-5-7-18)15-21(19)8-10-22-11-9-21/h3-7,12-13,22H,8-11,14-15H2,1-2H3
InChIKeyQKNJDGKHWAGWLA-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6-dimethylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanol
CID 83980539
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]
CID 131669706
1-benzylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]
CID 82626814
1-ethyl-5,6-dimethoxyspiro[2H-indole-3,4'-piperidine]
CID 83980562
1-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]
CID 83980527
4-benzyl-7-chlorospiro[1,3-dihydroquinoxaline-2,4'-piperidine]
CID 83515174
1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one
CID 102589034
1,5-dimethylspiro[2H-indole-3,4'-piperidine]
CID 59466294
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
benzyl 5-bromospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 133056068
2-methyl-1-(2-phenylethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 122673114

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine] (CID 83980538) is 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine] is Cc1cc2c(cc1C)C1(CCNCC1)CN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is QKNJDGKHWAGWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-16-12-19-20(13-17(16)2)23(14-18-6-4-3-5-7-18)15-21(19)8-10-22-11-9-21/h3-7,12-13,22H,8-11,14-15H2,1-2H3.
What are the key properties of 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]?
1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 306.45 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 83980538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).