1-(4-bromo-2-methylphenyl)piperidine

C12H16BrN — CID 66800775

IUPAC1-(4-bromo-2-methylphenyl)piperidine
SMILESCc1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C12H16BrN/c1-10-9-11(13)5-6-12(10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyRJPUFKBRNGSMSP-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.75
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)piperidine

1-(4-bromo-2-methylphenyl)piperidine (PubChem CID 66800775) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)piperidine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)piperidine
PubChem CID66800775
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(4-bromo-2-methylphenyl)piperidine
SMILESCc1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C12H16BrN/c1-10-9-11(13)5-6-12(10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyRJPUFKBRNGSMSP-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)piperidine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)piperidine (CID 66800775) is 1-(4-bromo-2-methylphenyl)piperidine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)piperidine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)piperidine is Cc1cc(Br)ccc1N1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)piperidine?
The InChIKey is RJPUFKBRNGSMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-10-9-11(13)5-6-12(10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)piperidine?
1-(4-bromo-2-methylphenyl)piperidine has a molecular weight of 254.17 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)piperidine is sourced from PubChem (CID 66800775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).