4-(4-bromo-2,5-dimethylphenoxy)piperidine

C13H18BrNO — CID 84715274

IUPAC4-(4-bromo-2,5-dimethylphenoxy)piperidine
SMILESCc1cc(OC2CCNCC2)c(C)cc1Br
InChIInChI=1S/C13H18BrNO/c1-9-8-13(10(2)7-12(9)14)16-11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3
InChIKeyBPIAMLZMUANTEP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.20
Rot. Bonds2

About 4-(4-bromo-2,5-dimethylphenoxy)piperidine

4-(4-bromo-2,5-dimethylphenoxy)piperidine (PubChem CID 84715274) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dimethylphenoxy)piperidine.

Molecular Properties

Compound Name4-(4-bromo-2,5-dimethylphenoxy)piperidine
PubChem CID84715274
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-(4-bromo-2,5-dimethylphenoxy)piperidine
SMILESCc1cc(OC2CCNCC2)c(C)cc1Br
InChIInChI=1S/C13H18BrNO/c1-9-8-13(10(2)7-12(9)14)16-11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3
InChIKeyBPIAMLZMUANTEP-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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Related Compounds

4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
4-(5-bromo-2-methylphenoxy)azepane
CID 107286395
4-(4-bromo-3,5-dimethylphenoxy)piperidine
CID 107724469
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
4-(4-bromo-2,5-difluorophenoxy)piperidine
CID 168665362
4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
4-(2,5-dibromo-4-methoxyphenoxy)azepane
CID 79404103
4-(2,3-dimethylphenoxy)piperidine
CID 24694567

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dimethylphenoxy)piperidine?
The IUPAC name of 4-(4-bromo-2,5-dimethylphenoxy)piperidine (CID 84715274) is 4-(4-bromo-2,5-dimethylphenoxy)piperidine.
What is the SMILES notation for 4-(4-bromo-2,5-dimethylphenoxy)piperidine?
The canonical SMILES for 4-(4-bromo-2,5-dimethylphenoxy)piperidine is Cc1cc(OC2CCNCC2)c(C)cc1Br.
What is the InChIKey of 4-(4-bromo-2,5-dimethylphenoxy)piperidine?
The InChIKey is BPIAMLZMUANTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-8-13(10(2)7-12(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-2,5-dimethylphenoxy)piperidine?
4-(4-bromo-2,5-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-2,5-dimethylphenoxy)piperidine is sourced from PubChem (CID 84715274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).