1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine

C25H34N2O5 — CID 11341288

IUPAC1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCN(C)CC1
InChIInChI=1S/C25H34N2O5/c1-26-10-12-27(13-11-26)14-15-32-22-16-19(8-9-21(22)28-2)6-7-20-17-23(29-3)25(31-5)24(18-20)30-4/h6-9,16-18H,10-15H2,1-5H3/b7-6-
InChIKeyOCOJRVKTWFTRDH-SREVYHEPSA-N
MW442.56 g/mol
LogP3.52
Rot. Bonds10

About 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine

1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine (PubChem CID 11341288) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
PubChem CID11341288
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCN(C)CC1
InChIInChI=1S/C25H34N2O5/c1-26-10-12-27(13-11-26)14-15-32-22-16-19(8-9-21(22)28-2)6-7-20-17-23(29-3)25(31-5)24(18-20)30-4/h6-9,16-18H,10-15H2,1-5H3/b7-6-
InChIKeyOCOJRVKTWFTRDH-SREVYHEPSA-N
XLogP3.52
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 56935715
3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 10496079
(E)-3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 42311398
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
(E)-3-[3-ethoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 39102581
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 22680522
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
CID 11156035
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
CID 134105359
2-[3-[6-[4-[6-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]hexyl]piperazin-1-yl]hexoxy]phenyl]-1,3-benzothiazole
CID 154486024
1-[2-(4-chlorophenoxy)ethyl]-4-[2-(3,4-dimethoxyphenyl)ethenyl]piperazine
CID 174661941

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine (CID 11341288) is 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine?
The InChIKey is OCOJRVKTWFTRDH-SREVYHEPSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-26-10-12-27(13-11-26)14-15-32-22-16-19(8-9-21(22)28-2)6-7-20-17-23(29-3)25(31-5)24(18-20)30-4/h6-9,16-18H,10-15H2,1-5H3/b7-6-.
What are the key properties of 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine?
1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine has a molecular weight of 442.56 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 11341288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).