1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

C23H28N2O2 — CID 15839981

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESCc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCO4)CC1)C2
InChIInChI=1S/C23H28N2O2/c1-16-5-6-17-14-20(15-18(17)13-16)24-19-7-9-25(10-8-19)21-3-2-4-22-23(21)27-12-11-26-22/h2-6,13,19-20,24H,7-12,14-15H2,1H3
InChIKeyBUVGYTAHPWYIHL-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (PubChem CID 15839981) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
PubChem CID15839981
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESCc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCO4)CC1)C2
InChIInChI=1S/C23H28N2O2/c1-16-5-6-17-14-20(15-18(17)13-16)24-19-7-9-25(10-8-19)21-3-2-4-22-23(21)27-12-11-26-22/h2-6,13,19-20,24H,7-12,14-15H2,1H3
InChIKeyBUVGYTAHPWYIHL-UHFFFAOYSA-N
XLogP3.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (CID 15839981) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is Cc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCO4)CC1)C2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The InChIKey is BUVGYTAHPWYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-5-6-17-14-20(15-18(17)13-16)24-19-7-9-25(10-8-19)21-3-2-4-22-23(21)27-12-11-26-22/h2-6,13,19-20,24H,7-12,14-15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine has a molecular weight of 364.49 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is sourced from PubChem (CID 15839981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).