1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine

C24H31N2O+ — CID 58393111

IUPAC1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine
SMILESC[N+]1(Cc2ccccc2)CCC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C24H31N2O/c1-26(19-22-10-6-3-7-11-22)17-14-24(20-26)27-23-12-15-25(16-13-23)18-21-8-4-2-5-9-21/h2-12,24H,13-20H2,1H3/q+1
InChIKeyRWUWXXDTUKRAEY-UHFFFAOYSA-N
MW363.52 g/mol
LogP4.21
Rot. Bonds6

About 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine

1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine (PubChem CID 58393111) has the molecular formula C24H31N2O+ and a molecular weight of 363.52 g/mol. Its IUPAC name is 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine
PubChem CID58393111
Molecular FormulaC24H31N2O+
Molecular Weight363.52 g/mol
Exact Mass363.24
IUPAC Name1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine
SMILESC[N+]1(Cc2ccccc2)CCC(OC2=CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C24H31N2O/c1-26(19-22-10-6-3-7-11-22)17-14-24(20-26)27-23-12-15-25(16-13-23)18-21-8-4-2-5-9-21/h2-12,24H,13-20H2,1H3/q+1
InChIKeyRWUWXXDTUKRAEY-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
CID 178156806
1-benzyl-4-(3-methylcyclobutyl)oxy-3,6-dihydro-2H-pyridine
CID 159320689
4-(azetidin-3-yloxy)-1-benzyl-3,6-dihydro-2H-pyridine
CID 146420453
1-benzyl-4-(1-methylpiperidin-3-yl)oxy-3,6-dihydro-2H-pyridine
CID 70920175
[3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy]cyclobutyl]methanol
CID 139530799
1-benzyl-4-methoxy-3,6-dihydro-2H-pyridine;cyclobutylmethanol
CID 156719785
1-benzyl-1-methylpiperidin-1-ium-4-one;1-benzylpiperidin-4-one;iodomethane;iodide
CID 158321845
1-benzyl-1-methylpiperidin-1-ium-4-one;1-benzylpiperidin-4-one;iodomethane;methane;iodide
CID 160748401
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyrrolidin-2-one
CID 126526003

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine (CID 58393111) is 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine is C[N+]1(Cc2ccccc2)CCC(OC2=CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine?
The InChIKey is RWUWXXDTUKRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N2O/c1-26(19-22-10-6-3-7-11-22)17-14-24(20-26)27-23-12-15-25(16-13-23)18-21-8-4-2-5-9-21/h2-12,24H,13-20H2,1H3/q+1.
What are the key properties of 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine?
1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine has a molecular weight of 363.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-benzyl-1-methylpyrrolidin-1-ium-3-yl)oxy-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 58393111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).