1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride

C14H23ClN2O3 — CID 156693635

IUPAC1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
SMILESCOCCOc1ccc(N2CCNCC2)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-17-9-10-19-12-3-4-13(14(11-12)18-2)16-7-5-15-6-8-16;/h3-4,11,15H,5-10H2,1-2H3;1H
InChIKeyZUTDNNWETSMMEB-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.55
Rot. Bonds6

About 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride

1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride (PubChem CID 156693635) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
PubChem CID156693635
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
SMILESCOCCOc1ccc(N2CCNCC2)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-17-9-10-19-12-3-4-13(14(11-12)18-2)16-7-5-15-6-8-16;/h3-4,11,15H,5-10H2,1-2H3;1H
InChIKeyZUTDNNWETSMMEB-UHFFFAOYSA-N
XLogP1.55
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-(4-iodo-2-methoxyphenyl)piperazine
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1-(4-butoxy-2-methylphenyl)-1,4-diazepane
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1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
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N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
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1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride (CID 156693635) is 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride is COCCOc1ccc(N2CCNCC2)c(OC)c1.Cl.
What is the InChIKey of 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride?
The InChIKey is ZUTDNNWETSMMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-17-9-10-19-12-3-4-13(14(11-12)18-2)16-7-5-15-6-8-16;/h3-4,11,15H,5-10H2,1-2H3;1H.
What are the key properties of 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride?
1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 156693635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).