1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride

C21H30Cl2N2O — CID 155541951

IUPAC1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
SMILESCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-24-21-10-6-5-9-20(21)12-14-23-17-15-22(16-18-23)13-11-19-7-3-2-4-8-19;;/h2-10H,11-18H2,1H3;2*1H
InChIKeyNIXVAHBANQDTBY-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.94
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride

1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride (PubChem CID 155541951) has the molecular formula C21H30Cl2N2O and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
PubChem CID155541951
Molecular FormulaC21H30Cl2N2O
Molecular Weight397.39 g/mol
Exact Mass396.17
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
SMILESCOc1ccccc1CCN1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-24-21-10-6-5-9-20(21)12-14-23-17-15-22(16-18-23)13-11-19-7-3-2-4-8-19;;/h2-10H,11-18H2,1H3;2*1H
InChIKeyNIXVAHBANQDTBY-UHFFFAOYSA-N
XLogP3.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
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4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
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1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
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1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
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CID 113109273
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 110412228
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-[3-(2-methoxyphenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 67898890
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CID 110616485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride (CID 155541951) is 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride is COc1ccccc1CCN1CCN(CCc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride?
The InChIKey is NIXVAHBANQDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.2ClH/c1-24-21-10-6-5-9-20(21)12-14-23-17-15-22(16-18-23)13-11-19-7-3-2-4-8-19;;/h2-10H,11-18H2,1H3;2*1H.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride?
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride is sourced from PubChem (CID 155541951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).