2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

C14H18BrNO2 — CID 117497267

IUPAC2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESBrc1cc2c(cc1CC1CCCCN1)OCCO2
InChIInChI=1S/C14H18BrNO2/c15-12-9-14-13(17-5-6-18-14)8-10(12)7-11-3-1-2-4-16-11/h8-9,11,16H,1-7H2
InChIKeyBFLWFUGYOGKMMY-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.90
Rot. Bonds2

About 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (PubChem CID 117497267) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
PubChem CID117497267
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESBrc1cc2c(cc1CC1CCCCN1)OCCO2
InChIInChI=1S/C14H18BrNO2/c15-12-9-14-13(17-5-6-18-14)8-10(12)7-11-3-1-2-4-16-11/h8-9,11,16H,1-7H2
InChIKeyBFLWFUGYOGKMMY-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117497131
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
2-[(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 117497255
2-[[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrrolidine
CID 117455379
2-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 117371404
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
2-[(7-bromo-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117480220
6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682499
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208277
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pyrrolidine
CID 117422989
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The IUPAC name of 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (CID 117497267) is 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.
What is the SMILES notation for 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The canonical SMILES for 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is Brc1cc2c(cc1CC1CCCCN1)OCCO2.
What is the InChIKey of 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The InChIKey is BFLWFUGYOGKMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-9-14-13(17-5-6-18-14)8-10(12)7-11-3-1-2-4-16-11/h8-9,11,16H,1-7H2.
What are the key properties of 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine has a molecular weight of 312.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is sourced from PubChem (CID 117497267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).