4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine

C20H24N2O2 — CID 135135436

IUPAC4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCc1cc(CC2CCN(Cc3ccc4c(c3)OCO4)C2)cc(C)n1
InChIInChI=1S/C20H24N2O2/c1-14-7-18(8-15(2)21-14)9-17-5-6-22(12-17)11-16-3-4-19-20(10-16)24-13-23-19/h3-4,7-8,10,17H,5-6,9,11-13H2,1-2H3
InChIKeyDOBSXQJIIJEZKC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.49
Rot. Bonds4

About 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine

4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine (PubChem CID 135135436) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
PubChem CID135135436
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCc1cc(CC2CCN(Cc3ccc4c(c3)OCO4)C2)cc(C)n1
InChIInChI=1S/C20H24N2O2/c1-14-7-18(8-15(2)21-14)9-17-5-6-22(12-17)11-16-3-4-19-20(10-16)24-13-23-19/h3-4,7-8,10,17H,5-6,9,11-13H2,1-2H3
InChIKeyDOBSXQJIIJEZKC-UHFFFAOYSA-N
XLogP3.49
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine with MolForge

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Related Compounds

4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methanamine
CID 22115337
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
3-(benzhydryloxymethyl)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidine
CID 19004211
1-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperazine
CID 64953784
(2S,3aS,7aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97388831
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 124947302
N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methyl-1,2,4-thiadiazol-5-amine
CID 11603670
1-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62655732
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-1,3-benzothiazole
CID 75615082
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine (CID 135135436) is 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine is Cc1cc(CC2CCN(Cc3ccc4c(c3)OCO4)C2)cc(C)n1.
What is the InChIKey of 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine?
The InChIKey is DOBSXQJIIJEZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-18(8-15(2)21-14)9-17-5-6-22(12-17)11-16-3-4-19-20(10-16)24-13-23-19/h3-4,7-8,10,17H,5-6,9,11-13H2,1-2H3.
What are the key properties of 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine?
4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine has a molecular weight of 324.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine is sourced from PubChem (CID 135135436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).