5-bromospiro[1,2-dihydroindene-3,4'-piperidine]

C13H16BrN — CID 83671316

IUPAC5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
SMILESBrc1ccc2c(c1)C1(CCNCC1)CC2
InChIInChI=1S/C13H16BrN/c14-11-2-1-10-3-4-13(12(10)9-11)5-7-15-8-6-13/h1-2,9,15H,3-8H2
InChIKeyQPTIOUHFRCAAPP-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.02
Rot. Bonds

About 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]

5-bromospiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 83671316) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 5-bromospiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID83671316
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
SMILESBrc1ccc2c(c1)C1(CCNCC1)CC2
InChIInChI=1S/C13H16BrN/c14-11-2-1-10-3-4-13(12(10)9-11)5-7-15-8-6-13/h1-2,9,15H,3-8H2
InChIKeyQPTIOUHFRCAAPP-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 5-bromospiro[1,2-dihydroindene-3,4'-piperidine] (CID 83671316) is 5-bromospiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 5-bromospiro[1,2-dihydroindene-3,4'-piperidine] is Brc1ccc2c(c1)C1(CCNCC1)CC2.
What is the InChIKey of 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is QPTIOUHFRCAAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-11-2-1-10-3-4-13(12(10)9-11)5-7-15-8-6-13/h1-2,9,15H,3-8H2.
What are the key properties of 5-bromospiro[1,2-dihydroindene-3,4'-piperidine]?
5-bromospiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 266.18 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 83671316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).