3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine

C13H19ClN2O — CID 107394384

IUPAC3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
SMILESCOC1(C)CCCN(c2ncccc2CCl)C1
InChIInChI=1S/C13H19ClN2O/c1-13(17-2)6-4-8-16(10-13)12-11(9-14)5-3-7-15-12/h3,5,7H,4,6,8-10H2,1-2H3
InChIKeyQBQUZXGFTVGVJB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.83
Rot. Bonds3

About 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine

3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine (PubChem CID 107394384) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
PubChem CID107394384
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
SMILESCOC1(C)CCCN(c2ncccc2CCl)C1
InChIInChI=1S/C13H19ClN2O/c1-13(17-2)6-4-8-16(10-13)12-11(9-14)5-3-7-15-12/h3,5,7H,4,6,8-10H2,1-2H3
InChIKeyQBQUZXGFTVGVJB-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63159282
2-[4-[3-(chloromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 61255098
3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63971575
4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
CID 61254912
2-[2-(3-methoxy-3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 107395888
3-chloro-2-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394378
3-(3-methoxy-3-methylpiperidin-1-yl)quinoxalin-2-amine
CID 107396287
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
5-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 107393585
3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine
CID 61421741
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394464
5-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridin-3-amine
CID 107390515

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine (CID 107394384) is 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine is COC1(C)CCCN(c2ncccc2CCl)C1.
What is the InChIKey of 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The InChIKey is QBQUZXGFTVGVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(17-2)6-4-8-16(10-13)12-11(9-14)5-3-7-15-12/h3,5,7H,4,6,8-10H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 107394384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).