1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine

C15H23NO3 — CID 88891908

IUPAC1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine
SMILESCOCC1(COOC)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23NO3/c1-17-12-15(13-19-18-2)8-9-16(11-15)10-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyCLMIIMHVFGDLSD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.10
Rot. Bonds7

About 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine

1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine (PubChem CID 88891908) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine
PubChem CID88891908
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine
SMILESCOCC1(COOC)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23NO3/c1-17-12-15(13-19-18-2)8-9-16(11-15)10-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyCLMIIMHVFGDLSD-UHFFFAOYSA-N
XLogP2.10
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine 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-3-methoxypyrrolidine-3-carbonitrile
CID 19382157
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
CID 122566362
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 83825251
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
2-[1-benzyl-3-(nitromethyl)pyrrolidin-3-yl]acetic acid
CID 69082275
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine (CID 88891908) is 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine is COCC1(COOC)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine?
The InChIKey is CLMIIMHVFGDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-12-15(13-19-18-2)8-9-16(11-15)10-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine?
1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine has a molecular weight of 265.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine is sourced from PubChem (CID 88891908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).