5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride

C12H17BrCl2N2 — CID 160919102

IUPAC5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride
SMILESCc1nc(Cl)c(C)c(N2CCCCC2)c1Br.Cl
InChIInChI=1S/C12H16BrClN2.ClH/c1-8-11(16-6-4-3-5-7-16)10(13)9(2)15-12(8)14;/h3-7H2,1-2H3;1H
InChIKeySGMOAGVLIIHTJP-UHFFFAOYSA-N
MW340.09 g/mol
LogP4.53
Rot. Bonds1

About 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride

5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride (PubChem CID 160919102) has the molecular formula C12H17BrCl2N2 and a molecular weight of 340.09 g/mol. Its IUPAC name is 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride
PubChem CID160919102
Molecular FormulaC12H17BrCl2N2
Molecular Weight340.09 g/mol
Exact Mass338.00
IUPAC Name5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride
SMILESCc1nc(Cl)c(C)c(N2CCCCC2)c1Br.Cl
InChIInChI=1S/C12H16BrClN2.ClH/c1-8-11(16-6-4-3-5-7-16)10(13)9(2)15-12(8)14;/h3-7H2,1-2H3;1H
InChIKeySGMOAGVLIIHTJP-UHFFFAOYSA-N
XLogP4.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;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

4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
CID 83558280
3-bromo-2,4-dichloro-5,6-dimethylpyridine
CID 169250788
5,6-dimethyl-3-piperidin-1-yl-1,2,4-triazine
CID 130168376
3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236134
1-(6-chloro-2-methyl-3-pyridinyl)azepane
CID 82225079
3,5-dibromo-4-piperidin-1-ylpyridine
CID 629258
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
5-bromo-2-chloro-3-piperidin-1-ylpyrazine
CID 135293554
1-(3-chloro-2,6-dimethylphenyl)pyrrolidine
CID 168514195
1-(2,6-dichloro-4-methylphenyl)pyrrolidine
CID 118374334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride?
The IUPAC name of 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride (CID 160919102) is 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride.
What is the SMILES notation for 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride?
The canonical SMILES for 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride is Cc1nc(Cl)c(C)c(N2CCCCC2)c1Br.Cl.
What is the InChIKey of 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride?
The InChIKey is SGMOAGVLIIHTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2.ClH/c1-8-11(16-6-4-3-5-7-16)10(13)9(2)15-12(8)14;/h3-7H2,1-2H3;1H.
What are the key properties of 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride?
5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride has a molecular weight of 340.09 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3,6-dimethyl-4-piperidin-1-ylpyridine;hydrochloride is sourced from PubChem (CID 160919102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).