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

C24H30N2O2 — CID 11100927

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine
SMILESc1ccc2c(c1)CCC2CCNC1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C24H30N2O2/c1-2-5-21-18(4-1)8-9-19(21)10-13-25-20-11-14-26(15-12-20)22-6-3-7-23-24(22)28-17-16-27-23/h1-7,19-20,25H,8-17H2
InChIKeyQXHARRQXKGTENB-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.14
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine (PubChem CID 11100927) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine
PubChem CID11100927
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine
SMILESc1ccc2c(c1)CCC2CCNC1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C24H30N2O2/c1-2-5-21-18(4-1)8-9-19(21)10-13-25-20-11-14-26(15-12-20)22-6-3-7-23-24(22)28-17-16-27-23/h1-7,19-20,25H,8-17H2
InChIKeyQXHARRQXKGTENB-UHFFFAOYSA-N
XLogP4.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.14
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-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine (CID 11100927) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine is c1ccc2c(c1)CCC2CCNC1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine?
The InChIKey is QXHARRQXKGTENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-5-21-18(4-1)8-9-19(21)10-13-25-20-11-14-26(15-12-20)22-6-3-7-23-24(22)28-17-16-27-23/h1-7,19-20,25H,8-17H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine has a molecular weight of 378.52 g/mol, XLogP of 4.14, 5 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-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 11100927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).