1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol

C15H23N3O3 — CID 82550270

IUPAC1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol
SMILESNc1cc2c(cc1C(O)CCN1CCNCC1)OCCO2
InChIInChI=1S/C15H23N3O3/c16-12-10-15-14(20-7-8-21-15)9-11(12)13(19)1-4-18-5-2-17-3-6-18/h9-10,13,17,19H,1-8,16H2
InChIKeyKJJMQOIJHQWIRV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.37
Rot. Bonds4

About 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol

1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82550270) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82550270
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol
SMILESNc1cc2c(cc1C(O)CCN1CCNCC1)OCCO2
InChIInChI=1S/C15H23N3O3/c16-12-10-15-14(20-7-8-21-15)9-11(12)13(19)1-4-18-5-2-17-3-6-18/h9-10,13,17,19H,1-8,16H2
InChIKeyKJJMQOIJHQWIRV-UHFFFAOYSA-N
XLogP0.37
TPSA79.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol (CID 82550270) is 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol is Nc1cc2c(cc1C(O)CCN1CCNCC1)OCCO2.
What is the InChIKey of 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is KJJMQOIJHQWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-12-10-15-14(20-7-8-21-15)9-11(12)13(19)1-4-18-5-2-17-3-6-18/h9-10,13,17,19H,1-8,16H2.
What are the key properties of 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol?
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82550270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).