1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine

C20H26BrN3O3 — CID 69344565

IUPAC1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(c3ccc(Br)c(OC)n3)CC2)cc1OC
InChIInChI=1S/C20H26BrN3O3/c1-25-17-6-4-15(14-18(17)26-2)8-9-23-10-12-24(13-11-23)19-7-5-16(21)20(22-19)27-3/h4-7,14H,8-13H2,1-3H3
InChIKeyMLTGBQKEJJTRTH-UHFFFAOYSA-N
MW436.35 g/mol
LogP3.23
Rot. Bonds7

About 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine

1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine (PubChem CID 69344565) has the molecular formula C20H26BrN3O3 and a molecular weight of 436.35 g/mol. Its IUPAC name is 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
PubChem CID69344565
Molecular FormulaC20H26BrN3O3
Molecular Weight436.35 g/mol
Exact Mass435.12
IUPAC Name1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(c3ccc(Br)c(OC)n3)CC2)cc1OC
InChIInChI=1S/C20H26BrN3O3/c1-25-17-6-4-15(14-18(17)26-2)8-9-23-10-12-24(13-11-23)19-7-5-16(21)20(22-19)27-3/h4-7,14H,8-13H2,1-3H3
InChIKeyMLTGBQKEJJTRTH-UHFFFAOYSA-N
XLogP3.23
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(5-bromo-6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-2-methylphenol
CID 58588959
1-(6-bromo-5-methoxy-2-pyridinyl)-4-ethylpiperazine
CID 88570050
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
1-butylsulfonyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 113074549
[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113074511
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
CID 140993283

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine (CID 69344565) is 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine is COc1ccc(CCN2CCN(c3ccc(Br)c(OC)n3)CC2)cc1OC.
What is the InChIKey of 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is MLTGBQKEJJTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O3/c1-25-17-6-4-15(14-18(17)26-2)8-9-23-10-12-24(13-11-23)19-7-5-16(21)20(22-19)27-3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine?
1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 436.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 69344565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).