2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride

C20H28Cl2N4O2 — CID 158747861

IUPAC2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
SMILESCc1ccnc(Cl)c1.Cl.c1cnc(C2CCOCC2)c(OC2CCNCC2)n1
InChIInChI=1S/C14H21N3O2.C6H6ClN.ClH/c1-5-15-6-2-12(1)19-14-13(16-7-8-17-14)11-3-9-18-10-4-11;1-5-2-3-8-6(7)4-5;/h7-8,11-12,15H,1-6,9-10H2;2-4H,1H3;1H
InChIKeyRJFBZEULSYESRE-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.97
Rot. Bonds3

About 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride

2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride (PubChem CID 158747861) has the molecular formula C20H28Cl2N4O2 and a molecular weight of 427.38 g/mol. Its IUPAC name is 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
PubChem CID158747861
Molecular FormulaC20H28Cl2N4O2
Molecular Weight427.38 g/mol
Exact Mass426.16
IUPAC Name2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
SMILESCc1ccnc(Cl)c1.Cl.c1cnc(C2CCOCC2)c(OC2CCNCC2)n1
InChIInChI=1S/C14H21N3O2.C6H6ClN.ClH/c1-5-15-6-2-12(1)19-14-13(16-7-8-17-14)11-3-9-18-10-4-11;1-5-2-3-8-6(7)4-5;/h7-8,11-12,15H,1-6,9-10H2;2-4H,1H3;1H
InChIKeyRJFBZEULSYESRE-UHFFFAOYSA-N
XLogP3.97
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;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

2-chloro-7-methylquinoline;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
CID 158632742
2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 159164139
2-methyl-3-piperidin-4-yloxypyrazine;hydrochloride
CID 71639336
2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 158280503
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
4-methyl-2-[4-[3-(oxan-4-yl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
CID 58548052
4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
CID 154963843
2-[(2-methyl-3-pyridinyl)oxy]-3-piperidin-4-ylpyrazine;dihydrochloride
CID 171688156
2-methyl-3-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 71639334
5-chloro-4-methyl-2-piperidin-4-yloxypyridine;dihydrochloride
CID 69411333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
The IUPAC name of 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride (CID 158747861) is 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride.
What is the SMILES notation for 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
The canonical SMILES for 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride is Cc1ccnc(Cl)c1.Cl.c1cnc(C2CCOCC2)c(OC2CCNCC2)n1.
What is the InChIKey of 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
The InChIKey is RJFBZEULSYESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.C6H6ClN.ClH/c1-5-15-6-2-12(1)19-14-13(16-7-8-17-14)11-3-9-18-10-4-11;1-5-2-3-8-6(7)4-5;/h7-8,11-12,15H,1-6,9-10H2;2-4H,1H3;1H.
What are the key properties of 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride?
2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride has a molecular weight of 427.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride is sourced from PubChem (CID 158747861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).