3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine

C12H16Br2N2O — CID 82701136

IUPAC3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine
SMILESBrCCOC1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C12H16Br2N2O/c13-5-9-17-10-3-7-16(8-4-10)12-11(14)2-1-6-15-12/h1-2,6,10H,3-5,7-9H2
InChIKeyWYUFQPNDBXYBBR-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.22
Rot. Bonds4

About 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine

3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine (PubChem CID 82701136) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine
PubChem CID82701136
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine
SMILESBrCCOC1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C12H16Br2N2O/c13-5-9-17-10-3-7-16(8-4-10)12-11(14)2-1-6-15-12/h1-2,6,10H,3-5,7-9H2
InChIKeyWYUFQPNDBXYBBR-UHFFFAOYSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine 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 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine (CID 82701136) is 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine is BrCCOC1CCN(c2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine?
The InChIKey is WYUFQPNDBXYBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c13-5-9-17-10-3-7-16(8-4-10)12-11(14)2-1-6-15-12/h1-2,6,10H,3-5,7-9H2.
What are the key properties of 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine?
3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine has a molecular weight of 364.08 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[4-(2-bromoethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 82701136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).