1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride

C24H36Cl2N2O2 — CID 18933219

IUPAC1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCOc1ccc(CCCN2CCN(CCCc3ccccc3)CC2)cc1OC.Cl.Cl
InChIInChI=1S/C24H34N2O2.2ClH/c1-27-23-13-12-22(20-24(23)28-2)11-7-15-26-18-16-25(17-19-26)14-6-10-21-8-4-3-5-9-21;;/h3-5,8-9,12-13,20H,6-7,10-11,14-19H2,1-2H3;2*1H
InChIKeyAADIIHVEMZNOPH-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.73
Rot. Bonds10

About 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride

1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride (PubChem CID 18933219) has the molecular formula C24H36Cl2N2O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
PubChem CID18933219
Molecular FormulaC24H36Cl2N2O2
Molecular Weight455.47 g/mol
Exact Mass454.22
IUPAC Name1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCOc1ccc(CCCN2CCN(CCCc3ccccc3)CC2)cc1OC.Cl.Cl
InChIInChI=1S/C24H34N2O2.2ClH/c1-27-23-13-12-22(20-24(23)28-2)11-7-15-26-18-16-25(17-19-26)14-6-10-21-8-4-3-5-9-21;;/h3-5,8-9,12-13,20H,6-7,10-11,14-19H2,1-2H3;2*1H
InChIKeyAADIIHVEMZNOPH-UHFFFAOYSA-N
XLogP4.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
oxalic acid;1-(3-phenylpropyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 90483761
1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine
CID 155275362
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 18986838
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride (CID 18933219) is 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride is COc1ccc(CCCN2CCN(CCCc3ccccc3)CC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
The InChIKey is AADIIHVEMZNOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2.2ClH/c1-27-23-13-12-22(20-24(23)28-2)11-7-15-26-18-16-25(17-19-26)14-6-10-21-8-4-3-5-9-21;;/h3-5,8-9,12-13,20H,6-7,10-11,14-19H2,1-2H3;2*1H.
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride has a molecular weight of 455.47 g/mol, XLogP of 4.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride is sourced from PubChem (CID 18933219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).