2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine

C11H15ClN2O — CID 58483104

IUPAC2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine
SMILESCN1CCC(Oc2ccnc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O/c1-14-6-3-9(4-7-14)15-10-2-5-13-11(12)8-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyXYSORHCTKOJKOD-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine

2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine (PubChem CID 58483104) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine.

Molecular Properties

Compound Name2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine
PubChem CID58483104
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine
SMILESCN1CCC(Oc2ccnc(Cl)c2)CC1
InChIInChI=1S/C11H15ClN2O/c1-14-6-3-9(4-7-14)15-10-2-5-13-11(12)8-10/h2,5,8-9H,3-4,6-7H2,1H3
InChIKeyXYSORHCTKOJKOD-UHFFFAOYSA-N
XLogP2.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine?
The IUPAC name of 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine (CID 58483104) is 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine.
What is the SMILES notation for 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine?
The canonical SMILES for 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine is CN1CCC(Oc2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine?
The InChIKey is XYSORHCTKOJKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14-6-3-9(4-7-14)15-10-2-5-13-11(12)8-10/h2,5,8-9H,3-4,6-7H2,1H3.
What are the key properties of 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine?
2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine has a molecular weight of 226.71 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpiperidin-4-yl)oxypyridine is sourced from PubChem (CID 58483104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).