[(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol

C15H33N3O4 — CID 144877432

IUPAC[(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol
SMILESCN1CCN(CC(CO)CO)CC1.CN1CCO[C@@H](CO)C1
InChIInChI=1S/C9H20N2O2.C6H13NO2/c1-10-2-4-11(5-3-10)6-9(7-12)8-13;1-7-2-3-9-6(4-7)5-8/h9,12-13H,2-8H2,1H3;6,8H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyGVGIWYOVNRPOAZ-FCXZQVPUSA-N
MW319.45 g/mol
LogP-1.86
Rot. Bonds5

About [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol

[(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol (PubChem CID 144877432) has the molecular formula C15H33N3O4 and a molecular weight of 319.45 g/mol. Its IUPAC name is [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name[(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol
PubChem CID144877432
Molecular FormulaC15H33N3O4
Molecular Weight319.45 g/mol
Exact Mass319.25
IUPAC Name[(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol
SMILESCN1CCN(CC(CO)CO)CC1.CN1CCO[C@@H](CO)C1
InChIInChI=1S/C9H20N2O2.C6H13NO2/c1-10-2-4-11(5-3-10)6-9(7-12)8-13;1-7-2-3-9-6(4-7)5-8/h9,12-13H,2-8H2,1H3;6,8H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyGVGIWYOVNRPOAZ-FCXZQVPUSA-N
XLogP-1.86
TPSA79.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
The IUPAC name of [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol (CID 144877432) is [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol.
What is the SMILES notation for [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
The canonical SMILES for [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol is CN1CCN(CC(CO)CO)CC1.CN1CCO[C@@H](CO)C1.
What is the InChIKey of [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
The InChIKey is GVGIWYOVNRPOAZ-FCXZQVPUSA-N. The full InChI is InChI=1S/C9H20N2O2.C6H13NO2/c1-10-2-4-11(5-3-10)6-9(7-12)8-13;1-7-2-3-9-6(4-7)5-8/h9,12-13H,2-8H2,1H3;6,8H,2-5H2,1H3/t;6-/m.1/s1.
What are the key properties of [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol?
[(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol has a molecular weight of 319.45 g/mol, XLogP of -1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methylmorpholin-2-yl]methanol;2-[(4-methylpiperazin-1-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 144877432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).