5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine

C13H19ClN2O — CID 81234681

IUPAC5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine
SMILESCOC1CCN(c2cc(C)ncc2CCl)CC1
InChIInChI=1S/C13H19ClN2O/c1-10-7-13(11(8-14)9-15-10)16-5-3-12(17-2)4-6-16/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGCSFVOFMQKBGLA-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.74
Rot. Bonds3

About 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine

5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine (PubChem CID 81234681) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine
PubChem CID81234681
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine
SMILESCOC1CCN(c2cc(C)ncc2CCl)CC1
InChIInChI=1S/C13H19ClN2O/c1-10-7-13(11(8-14)9-15-10)16-5-3-12(17-2)4-6-16/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGCSFVOFMQKBGLA-UHFFFAOYSA-N
XLogP2.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.74
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 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine?
The IUPAC name of 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine (CID 81234681) is 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine is COC1CCN(c2cc(C)ncc2CCl)CC1.
What is the InChIKey of 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine?
The InChIKey is GCSFVOFMQKBGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-7-13(11(8-14)9-15-10)16-5-3-12(17-2)4-6-16/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine?
5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine has a molecular weight of 254.76 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(4-methoxypiperidin-1-yl)-2-methylpyridine is sourced from PubChem (CID 81234681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).