4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]

C14H18BrN — CID 58295716

IUPAC4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCC1CC2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C14H18BrN/c1-10-9-14(5-7-16-8-6-14)13-11(10)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3
InChIKeyGCAJCWZOLDTDLZ-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.58
Rot. Bonds

About 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]

4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 58295716) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID58295716
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCC1CC2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C14H18BrN/c1-10-9-14(5-7-16-8-6-14)13-11(10)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3
InChIKeyGCAJCWZOLDTDLZ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine] (CID 58295716) is 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine] is CC1CC2(CCNCC2)c2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is GCAJCWZOLDTDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-10-9-14(5-7-16-8-6-14)13-11(10)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3.
What are the key properties of 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 280.21 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylspiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 58295716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).