1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine

C28H34N2O3 — CID 25156130

IUPAC1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
SMILESCOc1cccc(CCc2ccccc2OCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C28H34N2O3/c1-31-25-10-7-8-23(22-25)14-15-24-9-3-5-12-27(24)33-21-20-29-16-18-30(19-17-29)26-11-4-6-13-28(26)32-2/h3-13,22H,14-21H2,1-2H3
InChIKeyXSDFRRJDAYISQR-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.69
Rot. Bonds10

About 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine

1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine (PubChem CID 25156130) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
PubChem CID25156130
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine
SMILESCOc1cccc(CCc2ccccc2OCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C28H34N2O3/c1-31-25-10-7-8-23(22-25)14-15-24-9-3-5-12-27(24)33-21-20-29-16-18-30(19-17-29)26-11-4-6-13-28(26)32-2/h3-13,22H,14-21H2,1-2H3
InChIKeyXSDFRRJDAYISQR-UHFFFAOYSA-N
XLogP4.69
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-[2-[3-[3-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]propoxy]phenyl]ethyl]piperazine
CID 23661594
2-[4-[3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]piperazin-1-yl]pyrimidine;hydrochloride
CID 25157256
2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 20544975
6,7-dimethoxy-2-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]-3,4-dihydro-1H-isoquinoline
CID 25156686
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 15896863
1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 18986838
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
1-[3-(2-benzylphenoxy)propyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 139743333
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
CID 139709112
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 110412228

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine (CID 25156130) is 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine is COc1cccc(CCc2ccccc2OCCN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
The InChIKey is XSDFRRJDAYISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-31-25-10-7-8-23(22-25)14-15-24-9-3-5-12-27(24)33-21-20-29-16-18-30(19-17-29)26-11-4-6-13-28(26)32-2/h3-13,22H,14-21H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine?
1-(2-methoxyphenyl)-4-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine has a molecular weight of 446.59 g/mol, XLogP of 4.69, 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-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 25156130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).