3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine

C19H22BrN — CID 79429992

IUPAC3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
SMILESCc1cc(C)cc(C2CCNCC2c2cccc(Br)c2)c1
InChIInChI=1S/C19H22BrN/c1-13-8-14(2)10-16(9-13)18-6-7-21-12-19(18)15-4-3-5-17(20)11-15/h3-5,8-11,18-19,21H,6-7,12H2,1-2H3
InChIKeyDRDRTQPZRJIRIO-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.93
Rot. Bonds2

About 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine

3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine (PubChem CID 79429992) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
PubChem CID79429992
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
SMILESCc1cc(C)cc(C2CCNCC2c2cccc(Br)c2)c1
InChIInChI=1S/C19H22BrN/c1-13-8-14(2)10-16(9-13)18-6-7-21-12-19(18)15-4-3-5-17(20)11-15/h3-5,8-11,18-19,21H,6-7,12H2,1-2H3
InChIKeyDRDRTQPZRJIRIO-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine?
The IUPAC name of 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine (CID 79429992) is 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine?
The canonical SMILES for 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine is Cc1cc(C)cc(C2CCNCC2c2cccc(Br)c2)c1.
What is the InChIKey of 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine?
The InChIKey is DRDRTQPZRJIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-8-14(2)10-16(9-13)18-6-7-21-12-19(18)15-4-3-5-17(20)11-15/h3-5,8-11,18-19,21H,6-7,12H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine?
3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine has a molecular weight of 344.30 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine is sourced from PubChem (CID 79429992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).