4-(4-bromo-3,5-dimethylphenoxy)piperidine

C13H18BrNO — CID 107724469

IUPAC4-(4-bromo-3,5-dimethylphenoxy)piperidine
SMILESCc1cc(OC2CCNCC2)cc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-12(8-10(2)13(9)14)16-11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3
InChIKeyMBMPUHRPUCIJII-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.20
Rot. Bonds2

About 4-(4-bromo-3,5-dimethylphenoxy)piperidine

4-(4-bromo-3,5-dimethylphenoxy)piperidine (PubChem CID 107724469) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenoxy)piperidine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenoxy)piperidine
PubChem CID107724469
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-(4-bromo-3,5-dimethylphenoxy)piperidine
SMILESCc1cc(OC2CCNCC2)cc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-7-12(8-10(2)13(9)14)16-11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3
InChIKeyMBMPUHRPUCIJII-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)piperidine?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)piperidine (CID 107724469) is 4-(4-bromo-3,5-dimethylphenoxy)piperidine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenoxy)piperidine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenoxy)piperidine is Cc1cc(OC2CCNCC2)cc(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenoxy)piperidine?
The InChIKey is MBMPUHRPUCIJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-7-12(8-10(2)13(9)14)16-11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3.
What are the key properties of 4-(4-bromo-3,5-dimethylphenoxy)piperidine?
4-(4-bromo-3,5-dimethylphenoxy)piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenoxy)piperidine is sourced from PubChem (CID 107724469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).