2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine

C12H20N2O — CID 91022622

IUPAC2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine
SMILESCOC1CC=C(CC2CCNCC2)C=N1
InChIInChI=1S/C12H20N2O/c1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10/h2,9-10,12-13H,3-8H2,1H3
InChIKeyJDMDPFKUUATRBC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine

2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine (PubChem CID 91022622) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine
PubChem CID91022622
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine
SMILESCOC1CC=C(CC2CCNCC2)C=N1
InChIInChI=1S/C12H20N2O/c1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10/h2,9-10,12-13H,3-8H2,1H3
InChIKeyJDMDPFKUUATRBC-UHFFFAOYSA-N
XLogP1.75
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
2-Methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine
CID 143984951
1-[(3S,5R)-5-ethylpiperidin-3-yl]-N-[[(Z)-5-methyliminopent-3-enoxy]methyl]methanamine
CID 163927262
(2Z)-2-ethyl-N-methyl-4-(piperidin-4-ylmethyl)penta-2,4-dien-1-imine
CID 170059484

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The IUPAC name of 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine (CID 91022622) is 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine is COC1CC=C(CC2CCNCC2)C=N1.
What is the InChIKey of 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The InChIKey is JDMDPFKUUATRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-12-3-2-11(9-14-12)8-10-4-6-13-7-5-10/h2,9-10,12-13H,3-8H2,1H3.
What are the key properties of 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine has a molecular weight of 208.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine is sourced from PubChem (CID 91022622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).