3-(4-bromophenyl)-1-methylpiperidine

C12H16BrN — CID 58367593

IUPAC3-(4-bromophenyl)-1-methylpiperidine
SMILESCN1CCCC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrN/c1-14-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h4-7,11H,2-3,8-9H2,1H3
InChIKeyVCAZPSCXIZGAFG-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.26
Rot. Bonds1

About 3-(4-bromophenyl)-1-methylpiperidine

3-(4-bromophenyl)-1-methylpiperidine (PubChem CID 58367593) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-methylpiperidine
PubChem CID58367593
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name3-(4-bromophenyl)-1-methylpiperidine
SMILESCN1CCCC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrN/c1-14-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h4-7,11H,2-3,8-9H2,1H3
InChIKeyVCAZPSCXIZGAFG-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-methylpiperidine?
The IUPAC name of 3-(4-bromophenyl)-1-methylpiperidine (CID 58367593) is 3-(4-bromophenyl)-1-methylpiperidine.
What is the SMILES notation for 3-(4-bromophenyl)-1-methylpiperidine?
The canonical SMILES for 3-(4-bromophenyl)-1-methylpiperidine is CN1CCCC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-1-methylpiperidine?
The InChIKey is VCAZPSCXIZGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-14-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-methylpiperidine?
3-(4-bromophenyl)-1-methylpiperidine has a molecular weight of 254.17 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-methylpiperidine is sourced from PubChem (CID 58367593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).