6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole

C15H19N3O2 — CID 82149708

IUPAC6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCc1nc2cc3c(cc2n1CC1CCNCC1)OCO3
InChIInChI=1S/C15H19N3O2/c1-10-17-12-6-14-15(20-9-19-14)7-13(12)18(10)8-11-2-4-16-5-3-11/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyANJWHKGAGAHLAT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.07
Rot. Bonds2

About 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole

6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 82149708) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID82149708
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCc1nc2cc3c(cc2n1CC1CCNCC1)OCO3
InChIInChI=1S/C15H19N3O2/c1-10-17-12-6-14-15(20-9-19-14)7-13(12)18(10)8-11-2-4-16-5-3-11/h6-7,11,16H,2-5,8-9H2,1H3
InChIKeyANJWHKGAGAHLAT-UHFFFAOYSA-N
XLogP2.07
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole (CID 82149708) is 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole is Cc1nc2cc3c(cc2n1CC1CCNCC1)OCO3.
What is the InChIKey of 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is ANJWHKGAGAHLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-17-12-6-14-15(20-9-19-14)7-13(12)18(10)8-11-2-4-16-5-3-11/h6-7,11,16H,2-5,8-9H2,1H3.
What are the key properties of 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole?
6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 273.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 82149708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).