4-(3-bromophenyl)-3-(3-methylphenyl)piperidine

C18H20BrN — CID 79441754

IUPAC4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CNCCC2c2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrN/c1-13-4-2-5-14(10-13)18-12-20-9-8-17(18)15-6-3-7-16(19)11-15/h2-7,10-11,17-18,20H,8-9,12H2,1H3
InChIKeyOJMFSQNTVMATJB-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.62
Rot. Bonds2

About 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine

4-(3-bromophenyl)-3-(3-methylphenyl)piperidine (PubChem CID 79441754) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
PubChem CID79441754
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CNCCC2c2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrN/c1-13-4-2-5-14(10-13)18-12-20-9-8-17(18)15-6-3-7-16(19)11-15/h2-7,10-11,17-18,20H,8-9,12H2,1H3
InChIKeyOJMFSQNTVMATJB-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine?
The IUPAC name of 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine (CID 79441754) is 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine?
The canonical SMILES for 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine is Cc1cccc(C2CNCCC2c2cccc(Br)c2)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine?
The InChIKey is OJMFSQNTVMATJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-13-4-2-5-14(10-13)18-12-20-9-8-17(18)15-6-3-7-16(19)11-15/h2-7,10-11,17-18,20H,8-9,12H2,1H3.
What are the key properties of 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine?
4-(3-bromophenyl)-3-(3-methylphenyl)piperidine has a molecular weight of 330.27 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(3-methylphenyl)piperidine is sourced from PubChem (CID 79441754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).