1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride

C28H36Cl2N2O3 — CID 18986838

IUPAC1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(CCN2CCN(c3ccccc3OC)CC2)cc1OCCc1ccccc1.Cl.Cl
InChIInChI=1S/C28H34N2O3.2ClH/c1-31-26-11-7-6-10-25(26)30-19-17-29(18-20-30)16-14-24-12-13-27(32-2)28(22-24)33-21-15-23-8-4-3-5-9-23;;/h3-13,22H,14-21H2,1-2H3;2*1H
InChIKeyYZLXABGNLIMUPT-UHFFFAOYSA-N
MW519.51 g/mol
LogP5.53
Rot. Bonds10

About 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride

1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride (PubChem CID 18986838) has the molecular formula C28H36Cl2N2O3 and a molecular weight of 519.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
PubChem CID18986838
Molecular FormulaC28H36Cl2N2O3
Molecular Weight519.51 g/mol
Exact Mass518.21
IUPAC Name1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
SMILESCOc1ccc(CCN2CCN(c3ccccc3OC)CC2)cc1OCCc1ccccc1.Cl.Cl
InChIInChI=1S/C28H34N2O3.2ClH/c1-31-26-11-7-6-10-25(26)30-19-17-29(18-20-30)16-14-24-12-13-27(32-2)28(22-24)33-21-15-23-8-4-3-5-9-23;;/h3-13,22H,14-21H2,1-2H3;2*1H
InChIKeyYZLXABGNLIMUPT-UHFFFAOYSA-N
XLogP5.53
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.51
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
1-(2-methoxyphenyl)-4-[2-[3-[3-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]propoxy]phenyl]ethyl]piperazine
CID 23661594
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
CID 10547091
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzoxazol-2-one
CID 13343526
1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
CID 25156130
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole 1-oxide;hydrochloride
CID 139635984
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride (CID 18986838) is 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride is COc1ccc(CCN2CCN(c3ccccc3OC)CC2)cc1OCCc1ccccc1.Cl.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride?
The InChIKey is YZLXABGNLIMUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3.2ClH/c1-31-26-11-7-6-10-25(26)30-19-17-29(18-20-30)16-14-24-12-13-27(32-2)28(22-24)33-21-15-23-8-4-3-5-9-23;;/h3-13,22H,14-21H2,1-2H3;2*1H.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride?
1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride has a molecular weight of 519.51 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 18986838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).