4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine

C15H20BrNO — CID 117495209

IUPAC4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESCC1Cc2cc(CC3CCNCC3)cc(Br)c2O1
InChIInChI=1S/C15H20BrNO/c1-10-6-13-8-12(9-14(16)15(13)18-10)7-11-2-4-17-5-3-11/h8-11,17H,2-7H2,1H3
InChIKeyCRVXFOCCCGCHKC-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.31
Rot. Bonds2

About 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine

4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (PubChem CID 117495209) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
PubChem CID117495209
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESCC1Cc2cc(CC3CCNCC3)cc(Br)c2O1
InChIInChI=1S/C15H20BrNO/c1-10-6-13-8-12(9-14(16)15(13)18-10)7-11-2-4-17-5-3-11/h8-11,17H,2-7H2,1H3
InChIKeyCRVXFOCCCGCHKC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117418923
3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117477291
3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 84813255
4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117499962
4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
CID 117485706
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 117479951
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84809035
2-[(5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidine
CID 117495200
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride
CID 67000199
(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl) formate
CID 167236076

Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The IUPAC name of 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (CID 117495209) is 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.
What is the SMILES notation for 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The canonical SMILES for 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is CC1Cc2cc(CC3CCNCC3)cc(Br)c2O1.
What is the InChIKey of 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The InChIKey is CRVXFOCCCGCHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-6-13-8-12(9-14(16)15(13)18-10)7-11-2-4-17-5-3-11/h8-11,17H,2-7H2,1H3.
What are the key properties of 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine has a molecular weight of 310.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is sourced from PubChem (CID 117495209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).