4-(2-bromo-4-methoxyphenoxy)piperidine

C12H16BrNO2 — CID 56830635

IUPAC4-(2-bromo-4-methoxyphenoxy)piperidine
SMILESCOc1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-15-10-2-3-12(11(13)8-10)16-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyIXSIAXRBYZTYPE-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.59
Rot. Bonds3

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

4-(2-bromo-4-methoxyphenoxy)piperidine (PubChem CID 56830635) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)piperidine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)piperidine
PubChem CID56830635
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-(2-bromo-4-methoxyphenoxy)piperidine
SMILESCOc1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-15-10-2-3-12(11(13)8-10)16-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyIXSIAXRBYZTYPE-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromo-4-methoxyphenoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromo-4-methoxyphenoxy)azetidine
CID 53409199
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
4-(2,5-dibromo-4-methoxyphenoxy)azepane
CID 79404103
4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
CID 86322054
4-(2-bromo-4-butan-2-ylphenoxy)piperidine
CID 56830691
3-(5-methoxy-2-methylphenoxy)pyrrolidine
CID 84675320
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)piperidine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)piperidine (CID 56830635) is 4-(2-bromo-4-methoxyphenoxy)piperidine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)piperidine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)piperidine is COc1ccc(OC2CCNCC2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)piperidine?
The InChIKey is IXSIAXRBYZTYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-10-2-3-12(11(13)8-10)16-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)piperidine?
4-(2-bromo-4-methoxyphenoxy)piperidine has a molecular weight of 286.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)piperidine is sourced from PubChem (CID 56830635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).