1-(2,3-dibromophenyl)-2-methylpiperidine

C12H15Br2N — CID 118878859

IUPAC1-(2,3-dibromophenyl)-2-methylpiperidine
SMILESCC1CCCCN1c1cccc(Br)c1Br
InChIInChI=1S/C12H15Br2N/c1-9-5-2-3-8-15(9)11-7-4-6-10(13)12(11)14/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyBHOXOIXLTDUTGI-UHFFFAOYSA-N
MW333.07 g/mol
LogP4.59
Rot. Bonds1

About 1-(2,3-dibromophenyl)-2-methylpiperidine

1-(2,3-dibromophenyl)-2-methylpiperidine (PubChem CID 118878859) has the molecular formula C12H15Br2N and a molecular weight of 333.07 g/mol. Its IUPAC name is 1-(2,3-dibromophenyl)-2-methylpiperidine.

Molecular Properties

Compound Name1-(2,3-dibromophenyl)-2-methylpiperidine
PubChem CID118878859
Molecular FormulaC12H15Br2N
Molecular Weight333.07 g/mol
Exact Mass330.96
IUPAC Name1-(2,3-dibromophenyl)-2-methylpiperidine
SMILESCC1CCCCN1c1cccc(Br)c1Br
InChIInChI=1S/C12H15Br2N/c1-9-5-2-3-8-15(9)11-7-4-6-10(13)12(11)14/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyBHOXOIXLTDUTGI-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromophenyl)-2-methylpiperidine?
The IUPAC name of 1-(2,3-dibromophenyl)-2-methylpiperidine (CID 118878859) is 1-(2,3-dibromophenyl)-2-methylpiperidine.
What is the SMILES notation for 1-(2,3-dibromophenyl)-2-methylpiperidine?
The canonical SMILES for 1-(2,3-dibromophenyl)-2-methylpiperidine is CC1CCCCN1c1cccc(Br)c1Br.
What is the InChIKey of 1-(2,3-dibromophenyl)-2-methylpiperidine?
The InChIKey is BHOXOIXLTDUTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N/c1-9-5-2-3-8-15(9)11-7-4-6-10(13)12(11)14/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 1-(2,3-dibromophenyl)-2-methylpiperidine?
1-(2,3-dibromophenyl)-2-methylpiperidine has a molecular weight of 333.07 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromophenyl)-2-methylpiperidine is sourced from PubChem (CID 118878859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).