4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

C13H24N2O — CID 102776256

IUPAC4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2NCCC2C)CC1
InChIInChI=1S/C13H24N2O/c1-11-3-6-14-13(11)9-15-7-4-12(5-8-15)10-16-2/h4,11,13-14H,3,5-10H2,1-2H3
InChIKeyXJZLVPTZOXTSRV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.26
Rot. Bonds4

About 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 102776256) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID102776256
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2NCCC2C)CC1
InChIInChI=1S/C13H24N2O/c1-11-3-6-14-13(11)9-15-7-4-12(5-8-15)10-16-2/h4,11,13-14H,3,5-10H2,1-2H3
InChIKeyXJZLVPTZOXTSRV-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114411004
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060
2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine
CID 102776044
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114411039
3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 107069314
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 114411038
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385
N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine
CID 114413482
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-2-amine
CID 114411053
2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine
CID 131096591
2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane
CID 114279344
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
CID 107069292

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (CID 102776256) is 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is COCC1=CCN(CC2NCCC2C)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is XJZLVPTZOXTSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-3-6-14-13(11)9-15-7-4-12(5-8-15)10-16-2/h4,11,13-14H,3,5-10H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 224.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102776256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).