3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol

C15H32N4O3 — CID 57198493

IUPAC3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(C(O)COC(CCO)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4O3/c1-16-4-8-18(9-5-16)14(21)13-22-15(3-12-20)19-10-6-17(2)7-11-19/h14-15,20-21H,3-13H2,1-2H3
InChIKeyXFDSDOUVSMGKNM-UHFFFAOYSA-N
MW316.45 g/mol
LogP-1.48
Rot. Bonds7

About 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol

3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol (PubChem CID 57198493) has the molecular formula C15H32N4O3 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol
PubChem CID57198493
Molecular FormulaC15H32N4O3
Molecular Weight316.45 g/mol
Exact Mass316.25
IUPAC Name3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(C(O)COC(CCO)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H32N4O3/c1-16-4-8-18(9-5-16)14(21)13-22-15(3-12-20)19-10-6-17(2)7-11-19/h14-15,20-21H,3-13H2,1-2H3
InChIKeyXFDSDOUVSMGKNM-UHFFFAOYSA-N
XLogP-1.48
TPSA62.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol (CID 57198493) is 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol is CN1CCN(C(O)COC(CCO)N2CCN(C)CC2)CC1.
What is the InChIKey of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol?
The InChIKey is XFDSDOUVSMGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O3/c1-16-4-8-18(9-5-16)14(21)13-22-15(3-12-20)19-10-6-17(2)7-11-19/h14-15,20-21H,3-13H2,1-2H3.
What are the key properties of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol?
3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol has a molecular weight of 316.45 g/mol, XLogP of -1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-3-(4-methylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 57198493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).