3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine

C15H23ClN2O — CID 106588358

IUPAC3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine
SMILESCOCC1CCCN(c2nc(C)cc(C)c2CCl)C1
InChIInChI=1S/C15H23ClN2O/c1-11-7-12(2)17-15(14(11)8-16)18-6-4-5-13(9-18)10-19-3/h7,13H,4-6,8-10H2,1-3H3
InChIKeyJLLNDSGOCVLLNZ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.30
Rot. Bonds4

About 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine

3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine (PubChem CID 106588358) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine
PubChem CID106588358
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine
SMILESCOCC1CCCN(c2nc(C)cc(C)c2CCl)C1
InChIInChI=1S/C15H23ClN2O/c1-11-7-12(2)17-15(14(11)8-16)18-6-4-5-13(9-18)10-19-3/h7,13H,4-6,8-10H2,1-3H3
InChIKeyJLLNDSGOCVLLNZ-UHFFFAOYSA-N
XLogP3.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine (CID 106588358) is 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine is COCC1CCCN(c2nc(C)cc(C)c2CCl)C1.
What is the InChIKey of 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine?
The InChIKey is JLLNDSGOCVLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11-7-12(2)17-15(14(11)8-16)18-6-4-5-13(9-18)10-19-3/h7,13H,4-6,8-10H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine?
3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine has a molecular weight of 282.81 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine is sourced from PubChem (CID 106588358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).