6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

C15H22N2O2 — CID 43824741

IUPAC6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC1CCCC(C)N1c1cc2c(cc1N)OCCO2
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-11(2)17(10)13-9-15-14(8-12(13)16)18-6-7-19-15/h8-11H,3-7,16H2,1-2H3
InChIKeyFZCRBMPNALPPDP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.81
Rot. Bonds1

About 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43824741) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43824741
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC1CCCC(C)N1c1cc2c(cc1N)OCCO2
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-11(2)17(10)13-9-15-14(8-12(13)16)18-6-7-19-15/h8-11H,3-7,16H2,1-2H3
InChIKeyFZCRBMPNALPPDP-UHFFFAOYSA-N
XLogP2.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43824741) is 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is CC1CCCC(C)N1c1cc2c(cc1N)OCCO2.
What is the InChIKey of 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is FZCRBMPNALPPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-3-5-11(2)17(10)13-9-15-14(8-12(13)16)18-6-7-19-15/h8-11H,3-7,16H2,1-2H3.
What are the key properties of 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 262.35 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43824741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).