[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate

C16H24N2O3 — CID 171293547

IUPAC[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
SMILESCC[C@H](c1ccc(OC(C)=O)c(OC)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O3/c1-4-14(18-9-7-17-8-10-18)13-5-6-15(21-12(2)19)16(11-13)20-3/h5-6,11,14,17H,4,7-10H2,1-3H3/t14-/m1/s1
InChIKeyJVCJYQSGMSYXEV-CQSZACIVSA-N
MW292.38 g/mol
LogP1.98
Rot. Bonds5

About [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate

[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate (PubChem CID 171293547) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
PubChem CID171293547
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
SMILESCC[C@H](c1ccc(OC(C)=O)c(OC)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O3/c1-4-14(18-9-7-17-8-10-18)13-5-6-15(21-12(2)19)16(11-13)20-3/h5-6,11,14,17H,4,7-10H2,1-3H3/t14-/m1/s1
InChIKeyJVCJYQSGMSYXEV-CQSZACIVSA-N
XLogP1.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-[(1S)-1-piperazin-1-ylbutyl]phenyl] acetate
CID 171280951
[4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171183530
[4-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171189215
[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
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
[2-methoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenyl] acetate;dihydrochloride
CID 171293582
[2-methoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenyl] acetate;dihydrochloride
CID 171280928
[4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate
CID 171280937
[4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenyl] acetate;dihydrochloride
CID 171280958
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate (CID 171293547) is [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate is CC[C@H](c1ccc(OC(C)=O)c(OC)c1)N1CCNCC1.
What is the InChIKey of [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate?
The InChIKey is JVCJYQSGMSYXEV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-14(18-9-7-17-8-10-18)13-5-6-15(21-12(2)19)16(11-13)20-3/h5-6,11,14,17H,4,7-10H2,1-3H3/t14-/m1/s1.
What are the key properties of [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate?
[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate has a molecular weight of 292.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate is sourced from PubChem (CID 171293547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).