4-(2-bromo-4-methylphenoxy)piperidine

C12H16BrNO — CID 26191684

IUPAC4-(2-bromo-4-methylphenoxy)piperidine
SMILESCc1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyJUMILGKCGVTNOQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.89
Rot. Bonds2

About 4-(2-bromo-4-methylphenoxy)piperidine

4-(2-bromo-4-methylphenoxy)piperidine (PubChem CID 26191684) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)piperidine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)piperidine
PubChem CID26191684
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-(2-bromo-4-methylphenoxy)piperidine
SMILESCc1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyJUMILGKCGVTNOQ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
2-bromo-1-(4,4-difluorocyclohexyl)oxy-4-methylbenzene
CID 135227009
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922
4-(2-bromo-4-butan-2-ylphenoxy)piperidine
CID 56830691
4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
CID 86322054
4-(4-bromo-2,5-dimethylphenoxy)piperidine
CID 84715274
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)piperidine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)piperidine (CID 26191684) is 4-(2-bromo-4-methylphenoxy)piperidine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)piperidine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)piperidine is Cc1ccc(OC2CCNCC2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)piperidine?
The InChIKey is JUMILGKCGVTNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)piperidine?
4-(2-bromo-4-methylphenoxy)piperidine has a molecular weight of 270.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)piperidine is sourced from PubChem (CID 26191684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).