4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine

C14H20BrNO2 — CID 117499628

IUPAC4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
SMILESCCOc1cc(OC)c(Br)cc1C1CCNCC1
InChIInChI=1S/C14H20BrNO2/c1-3-18-13-9-14(17-2)12(15)8-11(13)10-4-6-16-7-5-10/h8-10,16H,3-7H2,1-2H3
InChIKeyZVJJXLWKCSGINO-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.32
Rot. Bonds4

About 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine

4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine (PubChem CID 117499628) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
PubChem CID117499628
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
SMILESCCOc1cc(OC)c(Br)cc1C1CCNCC1
InChIInChI=1S/C14H20BrNO2/c1-3-18-13-9-14(17-2)12(15)8-11(13)10-4-6-16-7-5-10/h8-10,16H,3-7H2,1-2H3
InChIKeyZVJJXLWKCSGINO-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-2-ethoxy-4-methoxyphenyl)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-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
CID 63156343
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
CID 117480594
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
4-(4-ethoxy-2,5-dimethylphenyl)azepane
CID 82296026
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 16766052
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine?
The IUPAC name of 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine (CID 117499628) is 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine.
What is the SMILES notation for 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine?
The canonical SMILES for 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine is CCOc1cc(OC)c(Br)cc1C1CCNCC1.
What is the InChIKey of 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine?
The InChIKey is ZVJJXLWKCSGINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-18-13-9-14(17-2)12(15)8-11(13)10-4-6-16-7-5-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine?
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine has a molecular weight of 314.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine is sourced from PubChem (CID 117499628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).