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

C23H28N2O2 — CID 15389366

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine
SMILESc1ccc2c(c1)CCC2CNC1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C23H28N2O2/c1-2-5-20-17(4-1)8-9-18(20)16-24-19-10-12-25(13-11-19)21-6-3-7-22-23(21)27-15-14-26-22/h1-7,18-19,24H,8-16H2
InChIKeyQTWJBDZQVVGUPG-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.75
Rot. Bonds4

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine (PubChem CID 15389366) 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-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine
PubChem CID15389366
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine
SMILESc1ccc2c(c1)CCC2CNC1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C23H28N2O2/c1-2-5-20-17(4-1)8-9-18(20)16-24-19-10-12-25(13-11-19)21-6-3-7-22-23(21)27-15-14-26-22/h1-7,18-19,24H,8-16H2
InChIKeyQTWJBDZQVVGUPG-UHFFFAOYSA-N
XLogP3.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.75
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-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine (CID 15389366) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine is c1ccc2c(c1)CCC2CNC1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine?
The InChIKey is QTWJBDZQVVGUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-5-20-17(4-1)8-9-18(20)16-24-19-10-12-25(13-11-19)21-6-3-7-22-23(21)27-15-14-26-22/h1-7,18-19,24H,8-16H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine has a molecular weight of 364.49 g/mol, XLogP of 3.75, 4 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-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 15389366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).