4-(4-bromo-3-methylphenyl)-1-methylpiperidine

C13H18BrN — CID 142031329

IUPAC4-(4-bromo-3-methylphenyl)-1-methylpiperidine
SMILESCc1cc(C2CCN(C)CC2)ccc1Br
InChIInChI=1S/C13H18BrN/c1-10-9-12(3-4-13(10)14)11-5-7-15(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyRVPSEWQIVSZCDM-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.57
Rot. Bonds1

About 4-(4-bromo-3-methylphenyl)-1-methylpiperidine

4-(4-bromo-3-methylphenyl)-1-methylpiperidine (PubChem CID 142031329) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-1-methylpiperidine
PubChem CID142031329
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-(4-bromo-3-methylphenyl)-1-methylpiperidine
SMILESCc1cc(C2CCN(C)CC2)ccc1Br
InChIInChI=1S/C13H18BrN/c1-10-9-12(3-4-13(10)14)11-5-7-15(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyRVPSEWQIVSZCDM-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)-1-methylpiperidine?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-1-methylpiperidine (CID 142031329) is 4-(4-bromo-3-methylphenyl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-1-methylpiperidine?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-1-methylpiperidine is Cc1cc(C2CCN(C)CC2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-1-methylpiperidine?
The InChIKey is RVPSEWQIVSZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10-9-12(3-4-13(10)14)11-5-7-15(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)-1-methylpiperidine?
4-(4-bromo-3-methylphenyl)-1-methylpiperidine has a molecular weight of 268.20 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-1-methylpiperidine is sourced from PubChem (CID 142031329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).