3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H23N3O2 — CID 60923578

IUPAC3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN1CCN(CCNC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C15H23N3O2/c1-17-6-8-18(9-7-17)5-4-16-14-11-20-15-10-12(19)2-3-13(14)15/h2-3,10,14,16,19H,4-9,11H2,1H3
InChIKeyIVZKFRGIMNLLRM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.66
Rot. Bonds4

About 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 60923578) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID60923578
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCN1CCN(CCNC2COc3cc(O)ccc32)CC1
InChIInChI=1S/C15H23N3O2/c1-17-6-8-18(9-7-17)5-4-16-14-11-20-15-10-12(19)2-3-13(14)15/h2-3,10,14,16,19H,4-9,11H2,1H3
InChIKeyIVZKFRGIMNLLRM-UHFFFAOYSA-N
XLogP0.66
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 60923578) is 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol is CN1CCN(CCNC2COc3cc(O)ccc32)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is IVZKFRGIMNLLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-6-8-18(9-7-17)5-4-16-14-11-20-15-10-12(19)2-3-13(14)15/h2-3,10,14,16,19H,4-9,11H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 277.37 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 60923578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).