2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol

C14H32N4O4 — CID 132520856

IUPAC2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)C[C@H]1CN[C@H](CN(CCO)CCO)CN1
InChIInChI=1S/C14H32N4O4/c19-5-1-17(2-6-20)11-13-9-16-14(10-15-13)12-18(3-7-21)4-8-22/h13-16,19-22H,1-12H2/t13-,14+
InChIKeyIBYPHRMDTBRELQ-OKILXGFUSA-N
MW320.43 g/mol
LogP-3.51
Rot. Bonds12

About 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 132520856) has the molecular formula C14H32N4O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID132520856
Molecular FormulaC14H32N4O4
Molecular Weight320.43 g/mol
Exact Mass320.24
IUPAC Name2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)C[C@H]1CN[C@H](CN(CCO)CCO)CN1
InChIInChI=1S/C14H32N4O4/c19-5-1-17(2-6-20)11-13-9-16-14(10-15-13)12-18(3-7-21)4-8-22/h13-16,19-22H,1-12H2/t13-,14+
InChIKeyIBYPHRMDTBRELQ-OKILXGFUSA-N
XLogP-3.51
TPSA111.46 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 5-3.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
CID 61234302
5-[(dibutylamino)methyl]pyrrolidin-3-ol
CID 66056350
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
aziridin-2-ylmethanol
CID 11286436
2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618388
1-(aziridin-2-yl)-N,N-dimethylmethanamine
CID 54502555
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 1376228
2-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 677824
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 132520856) is 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)C[C@H]1CN[C@H](CN(CCO)CCO)CN1.
What is the InChIKey of 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IBYPHRMDTBRELQ-OKILXGFUSA-N. The full InChI is InChI=1S/C14H32N4O4/c19-5-1-17(2-6-20)11-13-9-16-14(10-15-13)12-18(3-7-21)4-8-22/h13-16,19-22H,1-12H2/t13-,14+.
What are the key properties of 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 320.43 g/mol, XLogP of -3.51, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,5S)-5-[[bis(2-hydroxyethyl)amino]methyl]piperazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 132520856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).