1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine

C15H23ClN2O2 — CID 64924290

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)c(OC)cc2OC)CCN1
InChIInChI=1S/C15H23ClN2O2/c1-4-5-11-10-18(7-6-17-11)13-8-12(16)14(19-2)9-15(13)20-3/h8-9,11,17H,4-7,10H2,1-3H3
InChIKeyQZIXWFPLMRVCAV-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.94
Rot. Bonds5

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine

1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine (PubChem CID 64924290) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine
PubChem CID64924290
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)c(OC)cc2OC)CCN1
InChIInChI=1S/C15H23ClN2O2/c1-4-5-11-10-18(7-6-17-11)13-8-12(16)14(19-2)9-15(13)20-3/h8-9,11,17H,4-7,10H2,1-3H3
InChIKeyQZIXWFPLMRVCAV-UHFFFAOYSA-N
XLogP2.94
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
CID 64923794
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
CID 64923704
1-(5-bromo-2-methoxyphenyl)-3-propyl-1,4-diazepane
CID 64945407
1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane
CID 64942694
1-(4-chlorophenyl)-3-propylpiperazine
CID 64925256
1-[2-(methoxymethyl)phenyl]-3-propylpiperazine
CID 64925936
1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789
[4-(3-chloro-4-methoxyphenyl)piperazin-2-yl]methanamine
CID 117026857
1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine
CID 102855240
1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 60861288
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-propylpiperazine
CID 103193691
1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
CID 79771519

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine (CID 64924290) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine is CCCC1CN(c2cc(Cl)c(OC)cc2OC)CCN1.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine?
The InChIKey is QZIXWFPLMRVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-5-11-10-18(7-6-17-11)13-8-12(16)14(19-2)9-15(13)20-3/h8-9,11,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine?
1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine has a molecular weight of 298.81 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-propylpiperazine is sourced from PubChem (CID 64924290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).