[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate

C15H22N2O4 — CID 171183530

IUPAC[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
SMILESCOc1cc([C@H](CO)N2CCNCC2)ccc1OC(C)=O
InChIInChI=1S/C15H22N2O4/c1-11(19)21-14-4-3-12(9-15(14)20-2)13(10-18)17-7-5-16-6-8-17/h3-4,9,13,16,18H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyXMAZEVQWFWSJIU-ZDUSSCGKSA-N
MW294.35 g/mol
LogP0.56
Rot. Bonds5

About [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate

[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate (PubChem CID 171183530) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
PubChem CID171183530
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
SMILESCOc1cc([C@H](CO)N2CCNCC2)ccc1OC(C)=O
InChIInChI=1S/C15H22N2O4/c1-11(19)21-14-4-3-12(9-15(14)20-2)13(10-18)17-7-5-16-6-8-17/h3-4,9,13,16,18H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyXMAZEVQWFWSJIU-ZDUSSCGKSA-N
XLogP0.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
CID 171293547
[4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171189215
[2-methoxy-4-[(1S)-1-piperazin-1-ylbutyl]phenyl] acetate
CID 171280951
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171307016
[2-methoxy-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenyl] acetate;dihydrochloride
CID 171310370
[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate;dihydrochloride
CID 171307017
[2-methoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenyl] acetate;dihydrochloride
CID 171293582
[4-[(1S)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-methoxyphenyl] acetate
CID 171190163
[4-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171190166
[4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate
CID 171280937

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate (CID 171183530) is [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate is COc1cc([C@H](CO)N2CCNCC2)ccc1OC(C)=O.
What is the InChIKey of [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate?
The InChIKey is XMAZEVQWFWSJIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(19)21-14-4-3-12(9-15(14)20-2)13(10-18)17-7-5-16-6-8-17/h3-4,9,13,16,18H,5-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate?
[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate has a molecular weight of 294.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 171183530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).