[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride

C13H19ClN2O3 — CID 171194561

IUPAC[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
SMILESCOc1cc([C@@H]2CNCCN2)ccc1OC(C)=O.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-9(16)18-12-4-3-10(7-13(12)17-2)11-8-14-5-6-15-11;/h3-4,7,11,14-15H,5-6,8H2,1-2H3;1H/t11-;/m0./s1
InChIKeyMCTUTLFYLLLXLJ-MERQFXBCSA-N
MW286.76 g/mol
LogP1.28
Rot. Bonds3

About [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride

[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride (PubChem CID 171194561) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride.

Molecular Properties

Compound Name[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
PubChem CID171194561
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
SMILESCOc1cc([C@@H]2CNCCN2)ccc1OC(C)=O.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-9(16)18-12-4-3-10(7-13(12)17-2)11-8-14-5-6-15-11;/h3-4,7,11,14-15H,5-6,8H2,1-2H3;1H/t11-;/m0./s1
InChIKeyMCTUTLFYLLLXLJ-MERQFXBCSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
CID 171197397
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
[4-[(2S)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171193891
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
CID 171252600
[3-[(2S)-piperazin-2-yl]phenyl] acetate
CID 171193886
(2S)-2-(4-methoxy-3-nitrophenyl)piperazine;hydrochloride
CID 171193664
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
2-methoxy-4-[(2S)-piperazin-2-yl]benzonitrile
CID 71272457
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
4,5-dimethoxy-2-[(2R)-piperazin-2-yl]benzoic acid
CID 165348809
[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
CID 131531579
methyl 3-[(2R)-piperazin-2-yl]benzoate
CID 171194660

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride?
The IUPAC name of [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride (CID 171194561) is [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride.
What is the SMILES notation for [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride?
The canonical SMILES for [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride is COc1cc([C@@H]2CNCCN2)ccc1OC(C)=O.Cl.
What is the InChIKey of [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride?
The InChIKey is MCTUTLFYLLLXLJ-MERQFXBCSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-9(16)18-12-4-3-10(7-13(12)17-2)11-8-14-5-6-15-11;/h3-4,7,11,14-15H,5-6,8H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride?
[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride is sourced from PubChem (CID 171194561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).