2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine

C15H23BrN2O — CID 165370920

IUPAC2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine
SMILESCC[C@@H](C)N1CCC(OC)(c2ccc(Br)nc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-4-12(2)18-9-7-15(19-3,8-10-18)13-5-6-14(16)17-11-13/h5-6,11-12H,4,7-10H2,1-3H3/t12-/m1/s1
InChIKeyZUKZBAKGLQYFGW-GFCCVEGCSA-N
MW327.27 g/mol
LogP3.58
Rot. Bonds4

About 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine

2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine (PubChem CID 165370920) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine
PubChem CID165370920
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine
SMILESCC[C@@H](C)N1CCC(OC)(c2ccc(Br)nc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-4-12(2)18-9-7-15(19-3,8-10-18)13-5-6-14(16)17-11-13/h5-6,11-12H,4,7-10H2,1-3H3/t12-/m1/s1
InChIKeyZUKZBAKGLQYFGW-GFCCVEGCSA-N
XLogP3.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-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 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine?
The IUPAC name of 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine (CID 165370920) is 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine.
What is the SMILES notation for 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine?
The canonical SMILES for 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine is CC[C@@H](C)N1CCC(OC)(c2ccc(Br)nc2)CC1.
What is the InChIKey of 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine?
The InChIKey is ZUKZBAKGLQYFGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-12(2)18-9-7-15(19-3,8-10-18)13-5-6-14(16)17-11-13/h5-6,11-12H,4,7-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine?
2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine has a molecular weight of 327.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-[(2R)-butan-2-yl]-4-methoxypiperidin-4-yl]pyridine is sourced from PubChem (CID 165370920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).