3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride

C23H34Cl2N2O2 — CID 67634191

IUPAC3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCOc1ccc(OC)c(CCC2CN(CCCc3ccccc3)CCN2)c1.Cl.Cl
InChIInChI=1S/C23H32N2O2.2ClH/c1-26-22-12-13-23(27-2)20(17-22)10-11-21-18-25(16-14-24-21)15-6-9-19-7-4-3-5-8-19;;/h3-5,7-8,12-13,17,21,24H,6,9-11,14-16,18H2,1-2H3;2*1H
InChIKeyBDESFEVYOALKBC-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.39
Rot. Bonds9

About 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride

3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride (PubChem CID 67634191) has the molecular formula C23H34Cl2N2O2 and a molecular weight of 441.44 g/mol. Its IUPAC name is 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride
PubChem CID67634191
Molecular FormulaC23H34Cl2N2O2
Molecular Weight441.44 g/mol
Exact Mass440.20
IUPAC Name3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCOc1ccc(OC)c(CCC2CN(CCCc3ccccc3)CCN2)c1.Cl.Cl
InChIInChI=1S/C23H32N2O2.2ClH/c1-26-22-12-13-23(27-2)20(17-22)10-11-21-18-25(16-14-24-21)15-6-9-19-7-4-3-5-8-19;;/h3-5,7-8,12-13,17,21,24H,6,9-11,14-16,18H2,1-2H3;2*1H
InChIKeyBDESFEVYOALKBC-UHFFFAOYSA-N
XLogP4.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine
CID 67634190
1-[2-(3-methoxyphenyl)ethyl]-3-propylpiperazine
CID 107854185
3-[1-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine
CID 67633791
3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine
CID 67576444
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride?
The IUPAC name of 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride (CID 67634191) is 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride.
What is the SMILES notation for 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride?
The canonical SMILES for 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride is COc1ccc(OC)c(CCC2CN(CCCc3ccccc3)CCN2)c1.Cl.Cl.
What is the InChIKey of 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride?
The InChIKey is BDESFEVYOALKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.2ClH/c1-26-22-12-13-23(27-2)20(17-22)10-11-21-18-25(16-14-24-21)15-6-9-19-7-4-3-5-8-19;;/h3-5,7-8,12-13,17,21,24H,6,9-11,14-16,18H2,1-2H3;2*1H.
What are the key properties of 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride?
3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride has a molecular weight of 441.44 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperazine;dihydrochloride is sourced from PubChem (CID 67634191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).