2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol

C21H44N4O3 — CID 129196726

IUPAC2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(C)N1CCN(CC(O)COCC(C)N2CCN(C(C)(C)CO)CC2)CC1
InChIInChI=1S/C21H44N4O3/c1-18(2)23-8-6-22(7-9-23)14-20(27)16-28-15-19(3)24-10-12-25(13-11-24)21(4,5)17-26/h18-20,26-27H,6-17H2,1-5H3
InChIKeyHKRLPWWSGUTXOZ-UHFFFAOYSA-N
MW400.61 g/mol
LogP0.17
Rot. Bonds10

About 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol

2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol (PubChem CID 129196726) has the molecular formula C21H44N4O3 and a molecular weight of 400.61 g/mol. Its IUPAC name is 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol
PubChem CID129196726
Molecular FormulaC21H44N4O3
Molecular Weight400.61 g/mol
Exact Mass400.34
IUPAC Name2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol
SMILESCC(C)N1CCN(CC(O)COCC(C)N2CCN(C(C)(C)CO)CC2)CC1
InChIInChI=1S/C21H44N4O3/c1-18(2)23-8-6-22(7-9-23)14-20(27)16-28-15-19(3)24-10-12-25(13-11-24)21(4,5)17-26/h18-20,26-27H,6-17H2,1-5H3
InChIKeyHKRLPWWSGUTXOZ-UHFFFAOYSA-N
XLogP0.17
TPSA62.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol (CID 129196726) is 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol is CC(C)N1CCN(CC(O)COCC(C)N2CCN(C(C)(C)CO)CC2)CC1.
What is the InChIKey of 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol?
The InChIKey is HKRLPWWSGUTXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4O3/c1-18(2)23-8-6-22(7-9-23)14-20(27)16-28-15-19(3)24-10-12-25(13-11-24)21(4,5)17-26/h18-20,26-27H,6-17H2,1-5H3.
What are the key properties of 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol?
2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol has a molecular weight of 400.61 g/mol, XLogP of 0.17, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 129196726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).