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

C13H20N2O2 — CID 20785430

IUPAC2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol
SMILESCOC(CO)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2/c1-17-13(10-16)11-2-4-12(5-3-11)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3
InChIKeyWQZWKXPYAGSGIT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.78
Rot. Bonds4

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

2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol (PubChem CID 20785430) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol
PubChem CID20785430
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol
SMILESCOC(CO)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2/c1-17-13(10-16)11-2-4-12(5-3-11)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3
InChIKeyWQZWKXPYAGSGIT-UHFFFAOYSA-N
XLogP0.78
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 90088114
3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 142457120
(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171183683
1-[4-(1-fluoroethyl)phenyl]piperazine
CID 115025940
2-(methylamino)-1-(4-piperazin-1-ylphenyl)ethanol
CID 83971909
2-(4-piperazin-1-ylphenyl)propanamide
CID 178004680
(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
2-(4-bromophenyl)-2-methoxyethanol
CID 20785407
(2R)-2-methoxypropan-1-ol;1-(3-methylphenyl)piperazine
CID 143127584
S-[2,3-dihydroxy-3-(4-piperazin-1-ylphenyl)propyl] ethanethioate
CID 170822751
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1-[4-(2-methoxyethyl)phenyl]piperazine
CID 170986156

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol?
The IUPAC name of 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol (CID 20785430) is 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol.
What is the SMILES notation for 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol?
The canonical SMILES for 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol is COC(CO)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol?
The InChIKey is WQZWKXPYAGSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-13(10-16)11-2-4-12(5-3-11)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3.
What are the key properties of 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol?
2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol has a molecular weight of 236.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol is sourced from PubChem (CID 20785430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).