7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]

C14H19BrN2 — CID 91272402

IUPAC7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCc1ccc2c(c1Br)NCC21CCNCC1C
InChIInChI=1S/C14H19BrN2/c1-9-3-4-11-13(12(9)15)17-8-14(11)5-6-16-7-10(14)2/h3-4,10,16-17H,5-8H2,1-2H3
InChIKeyBCFSWBLZIAOULA-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.05
Rot. Bonds

About 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]

7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 91272402) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID91272402
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCc1ccc2c(c1Br)NCC21CCNCC1C
InChIInChI=1S/C14H19BrN2/c1-9-3-4-11-13(12(9)15)17-8-14(11)5-6-16-7-10(14)2/h3-4,10,16-17H,5-8H2,1-2H3
InChIKeyBCFSWBLZIAOULA-UHFFFAOYSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701793
7-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701783
2-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 176678074
3-methyl-4-[(2-methylphenyl)methyl]piperidin-4-ol
CID 114501868
2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 58138455
6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]
CID 112715621
4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
CID 114501970
6-methyl-2,8-diazaspiro[4.5]decane
CID 83680090
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
3-(2-bromophenyl)-3-methylpyrrolidine
CID 62354169
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
4-(3-bromothiophen-2-yl)-3-methylpiperidin-4-ol
CID 114501888

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine] (CID 91272402) is 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine] is Cc1ccc2c(c1Br)NCC21CCNCC1C.
What is the InChIKey of 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is BCFSWBLZIAOULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-9-3-4-11-13(12(9)15)17-8-14(11)5-6-16-7-10(14)2/h3-4,10,16-17H,5-8H2,1-2H3.
What are the key properties of 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine]?
7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 295.22 g/mol, XLogP of 3.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3',6-dimethylspiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 91272402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).