1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine

C28H34N2O4 — CID 118720221

IUPAC1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(OC)cc(OCc2ccc(CCN3CCN(c4ccccc4OC)CC3)cc2)c1
InChIInChI=1S/C28H34N2O4/c1-31-24-18-25(32-2)20-26(19-24)34-21-23-10-8-22(9-11-23)12-13-29-14-16-30(17-15-29)27-6-4-5-7-28(27)33-3/h4-11,18-20H,12-17,21H2,1-3H3
InChIKeyKHMKQRBSBUIGIN-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.66
Rot. Bonds10

About 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine

1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 118720221) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID118720221
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(OC)cc(OCc2ccc(CCN3CCN(c4ccccc4OC)CC3)cc2)c1
InChIInChI=1S/C28H34N2O4/c1-31-24-18-25(32-2)20-26(19-24)34-21-23-10-8-22(9-11-23)12-13-29-14-16-30(17-15-29)27-6-4-5-7-28(27)33-3/h4-11,18-20H,12-17,21H2,1-3H3
InChIKeyKHMKQRBSBUIGIN-UHFFFAOYSA-N
XLogP4.66
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(3-methoxyphenyl)piperazine;hydrochloride
CID 118720226
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
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-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 18986838
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
1-[2-(5-ethyl-2-pyridinyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 71430224
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
CID 139709112
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
CID 10547091
1-(2-chloro-4-phenylmethoxyphenyl)-4-(2-phenylethyl)piperazine
CID 23111462
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine (CID 118720221) is 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine is COc1cc(OC)cc(OCc2ccc(CCN3CCN(c4ccccc4OC)CC3)cc2)c1.
What is the InChIKey of 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is KHMKQRBSBUIGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-31-24-18-25(32-2)20-26(19-24)34-21-23-10-8-22(9-11-23)12-13-29-14-16-30(17-15-29)27-6-4-5-7-28(27)33-3/h4-11,18-20H,12-17,21H2,1-3H3.
What are the key properties of 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine?
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 462.59 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 118720221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).