2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol

C13H21N3O — CID 83971909

IUPAC2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
SMILESCNCC(O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H21N3O/c1-14-10-13(17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,13-15,17H,6-10H2,1H3
InChIKeyOTXPDZBWUMCJIY-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.35
Rot. Bonds4

About 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol

2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol (PubChem CID 83971909) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
PubChem CID83971909
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
SMILESCNCC(O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H21N3O/c1-14-10-13(17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,13-15,17H,6-10H2,1H3
InChIKeyOTXPDZBWUMCJIY-UHFFFAOYSA-N
XLogP0.35
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol?
The IUPAC name of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol (CID 83971909) is 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol is CNCC(O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol?
The InChIKey is OTXPDZBWUMCJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-10-13(17)11-2-4-12(5-3-11)16-8-6-15-7-9-16/h2-5,13-15,17H,6-10H2,1H3.
What are the key properties of 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol?
2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol is sourced from PubChem (CID 83971909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).