4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride

C15H23BrClNO2 — CID 67000354

IUPAC4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride
SMILESCOCCOc1cc(Br)cc(CC2CCNCC2)c1.Cl
InChIInChI=1S/C15H22BrNO2.ClH/c1-18-6-7-19-15-10-13(9-14(16)11-15)8-12-2-4-17-5-3-12;/h9-12,17H,2-8H2,1H3;1H
InChIKeyNPLDXLXFVRRXCD-UHFFFAOYSA-N
MW364.71 g/mol
LogP3.44
Rot. Bonds6

About 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride

4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride (PubChem CID 67000354) has the molecular formula C15H23BrClNO2 and a molecular weight of 364.71 g/mol. Its IUPAC name is 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride
PubChem CID67000354
Molecular FormulaC15H23BrClNO2
Molecular Weight364.71 g/mol
Exact Mass363.06
IUPAC Name4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride
SMILESCOCCOc1cc(Br)cc(CC2CCNCC2)c1.Cl
InChIInChI=1S/C15H22BrNO2.ClH/c1-18-6-7-19-15-10-13(9-14(16)11-15)8-12-2-4-17-5-3-12;/h9-12,17H,2-8H2,1H3;1H
InChIKeyNPLDXLXFVRRXCD-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride (CID 67000354) is 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride is COCCOc1cc(Br)cc(CC2CCNCC2)c1.Cl.
What is the InChIKey of 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride?
The InChIKey is NPLDXLXFVRRXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2.ClH/c1-18-6-7-19-15-10-13(9-14(16)11-15)8-12-2-4-17-5-3-12;/h9-12,17H,2-8H2,1H3;1H.
What are the key properties of 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride?
4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride has a molecular weight of 364.71 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-bromo-5-(2-methoxyethoxy)phenyl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 67000354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).