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

C14H26N2O — CID 114411004

IUPAC4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCCC2CCNC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-12-14-5-9-16(10-6-14)8-2-3-13-4-7-15-11-13/h5,13,15H,2-4,6-12H2,1H3
InChIKeyLICJJEHHEWSWQM-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.65
Rot. Bonds6

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

4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine (PubChem CID 114411004) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine
PubChem CID114411004
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CCCC2CCNC2)CC1
InChIInChI=1S/C14H26N2O/c1-17-12-14-5-9-16(10-6-14)8-2-3-13-4-7-15-11-13/h5,13,15H,2-4,6-12H2,1H3
InChIKeyLICJJEHHEWSWQM-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.65
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-methyl-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114410854
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
1-(3-pyrrolidin-3-ylpropyl)piperidine
CID 54342662
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
N-methoxy-N-methyl-3-pyrrolidin-3-ylpropan-1-amine
CID 114396537
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-2-amine
CID 114411053
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methanamine
CID 114411098
8-(3-piperidin-3-ylpropyl)-8-azaspiro[4.5]decane
CID 63161199
(3S)-3-pentylpyrrolidine
CID 10261191

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine (CID 114411004) is 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine is COCC1=CCN(CCCC2CCNC2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is LICJJEHHEWSWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-17-12-14-5-9-16(10-6-14)8-2-3-13-4-7-15-11-13/h5,13,15H,2-4,6-12H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 238.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114411004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).