2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride

C11H16BrClN2O — CID 118109642

IUPAC2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride
SMILESBrc1ccc(OCC2CCNCC2)cn1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c12-11-2-1-10(7-14-11)15-8-9-3-5-13-6-4-9;/h1-2,7,9,13H,3-6,8H2;1H
InChIKeyPMDDAAPZJRPYDC-UHFFFAOYSA-N
MW307.62 g/mol
LogP2.64
Rot. Bonds3

About 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride

2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride (PubChem CID 118109642) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride
PubChem CID118109642
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride
SMILESBrc1ccc(OCC2CCNCC2)cn1.Cl
InChIInChI=1S/C11H15BrN2O.ClH/c12-11-2-1-10(7-14-11)15-8-9-3-5-13-6-4-9;/h1-2,7,9,13H,3-6,8H2;1H
InChIKeyPMDDAAPZJRPYDC-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride 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

5-(azetidin-2-ylmethoxy)-2-bromopyridine
CID 22451668
2-phenyl-5-(piperidin-4-ylmethoxy)pyridine
CID 127025530
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride
CID 141382248
5-(piperidin-4-ylmethoxy)-N-pyridin-2-ylpyridin-2-amine
CID 175740892
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
2-bromo-6-(piperidin-4-ylmethoxy)pyridine
CID 56831276
2-bromo-5-(piperidin-4-ylmethoxy)benzonitrile
CID 90018451
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride?
The IUPAC name of 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride (CID 118109642) is 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride?
The canonical SMILES for 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride is Brc1ccc(OCC2CCNCC2)cn1.Cl.
What is the InChIKey of 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride?
The InChIKey is PMDDAAPZJRPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O.ClH/c12-11-2-1-10(7-14-11)15-8-9-3-5-13-6-4-9;/h1-2,7,9,13H,3-6,8H2;1H.
What are the key properties of 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride?
2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride has a molecular weight of 307.62 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride is sourced from PubChem (CID 118109642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).