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

C14H18BrNO — CID 117477291

IUPAC3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESCC1Cc2cc(C3CCCNC3)cc(Br)c2O1
InChIInChI=1S/C14H18BrNO/c1-9-5-12-6-11(7-13(15)14(12)17-9)10-3-2-4-16-8-10/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyZWKYFIUXFZYOAF-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.24
Rot. Bonds1

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

3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine (PubChem CID 117477291) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine.

Molecular Properties

Compound Name3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
PubChem CID117477291
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESCC1Cc2cc(C3CCCNC3)cc(Br)c2O1
InChIInChI=1S/C14H18BrNO/c1-9-5-12-6-11(7-13(15)14(12)17-9)10-3-2-4-16-8-10/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyZWKYFIUXFZYOAF-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 117479951
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117495209
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117418923
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
2-bromo-4-piperidin-3-ylaniline
CID 130039466
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84809035
3-(5-bromofuran-2-yl)piperidine
CID 82390955
(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate
CID 167236076
3-(4-bromofuran-3-yl)piperidine
CID 82390956
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The IUPAC name of 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine (CID 117477291) is 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine.
What is the SMILES notation for 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The canonical SMILES for 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine is CC1Cc2cc(C3CCCNC3)cc(Br)c2O1.
What is the InChIKey of 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
The InChIKey is ZWKYFIUXFZYOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-5-12-6-11(7-13(15)14(12)17-9)10-3-2-4-16-8-10/h6-7,9-10,16H,2-5,8H2,1H3.
What are the key properties of 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine?
3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine has a molecular weight of 296.21 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine is sourced from PubChem (CID 117477291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).