2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine

C15H20BrNO — CID 117495200

IUPAC2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
SMILESCC1Cc2cc(Br)cc(CC3CCCCN3)c2O1
InChIInChI=1S/C15H20BrNO/c1-10-6-11-7-13(16)8-12(15(11)18-10)9-14-4-2-3-5-17-14/h7-8,10,14,17H,2-6,9H2,1H3
InChIKeyRLGGUENXXPEAPI-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.46
Rot. Bonds2

About 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine

2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine (PubChem CID 117495200) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
PubChem CID117495200
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
SMILESCC1Cc2cc(Br)cc(CC3CCCCN3)c2O1
InChIInChI=1S/C15H20BrNO/c1-10-6-11-7-13(16)8-12(15(11)18-10)9-14-4-2-3-5-17-14/h7-8,10,14,17H,2-6,9H2,1H3
InChIKeyRLGGUENXXPEAPI-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117480393
3-(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117498259
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
CID 104687990
2-[(5-bromo-2-ethylphenyl)methyl]pyrrolidine
CID 84808304
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117497267
2-[(7-bromo-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117480220
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-piperidin-2-ylbutan-2-one
CID 116563807
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
1-(azepan-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116582740

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine?
The IUPAC name of 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine (CID 117495200) is 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine.
What is the SMILES notation for 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine?
The canonical SMILES for 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine is CC1Cc2cc(Br)cc(CC3CCCCN3)c2O1.
What is the InChIKey of 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine?
The InChIKey is RLGGUENXXPEAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-6-11-7-13(16)8-12(15(11)18-10)9-14-4-2-3-5-17-14/h7-8,10,14,17H,2-6,9H2,1H3.
What are the key properties of 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine?
2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine has a molecular weight of 310.23 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine is sourced from PubChem (CID 117495200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).