3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine

C13H22N2O — CID 134406258

IUPAC3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine
SMILESCOC1CCN(CC2=CC=C(C)NC2)CC1
InChIInChI=1S/C13H22N2O/c1-11-3-4-12(9-14-11)10-15-7-5-13(16-2)6-8-15/h3-4,13-14H,5-10H2,1-2H3
InChIKeyYGEQFOUTPGUDBH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.53
Rot. Bonds3

About 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine

3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine (PubChem CID 134406258) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine
PubChem CID134406258
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine
SMILESCOC1CCN(CC2=CC=C(C)NC2)CC1
InChIInChI=1S/C13H22N2O/c1-11-3-4-12(9-14-11)10-15-7-5-13(16-2)6-8-15/h3-4,13-14H,5-10H2,1-2H3
InChIKeyYGEQFOUTPGUDBH-UHFFFAOYSA-N
XLogP1.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine?
The IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine (CID 134406258) is 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine is COC1CCN(CC2=CC=C(C)NC2)CC1.
What is the InChIKey of 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine?
The InChIKey is YGEQFOUTPGUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-4-12(9-14-11)10-15-7-5-13(16-2)6-8-15/h3-4,13-14H,5-10H2,1-2H3.
What are the key properties of 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine?
3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine has a molecular weight of 222.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 134406258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).