4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine

C13H24N2O — CID 114410922

IUPAC4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCC2CCNC2)CC1
InChIInChI=1S/C13H24N2O/c1-16-11-13-4-8-15(9-5-13)7-3-12-2-6-14-10-12/h4,12,14H,2-3,5-11H2,1H3
InChIKeyRWOGELXRARPPSK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.26
Rot. Bonds5

About 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114410922) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID114410922
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCC2CCNC2)CC1
InChIInChI=1S/C13H24N2O/c1-16-11-13-4-8-15(9-5-13)7-3-12-2-6-14-10-12/h4,12,14H,2-3,5-11H2,1H3
InChIKeyRWOGELXRARPPSK-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine (CID 114410922) is 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine is COCC1=CCN(CCC2CCNC2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is RWOGELXRARPPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-16-11-13-4-8-15(9-5-13)7-3-12-2-6-14-10-12/h4,12,14H,2-3,5-11H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 224.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).