1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine

C17H27BrN2O2 — CID 170863578

IUPAC1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
SMILESCCOc1cc(CCCN2CCN(C)CC2)c(Br)cc1OC
InChIInChI=1S/C17H27BrN2O2/c1-4-22-17-12-14(15(18)13-16(17)21-3)6-5-7-20-10-8-19(2)9-11-20/h12-13H,4-11H2,1-3H3
InChIKeyWMMXGVHPKSQRGW-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.04
Rot. Bonds7

About 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine

1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170863578) has the molecular formula C17H27BrN2O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170863578
Molecular FormulaC17H27BrN2O2
Molecular Weight371.32 g/mol
Exact Mass370.13
IUPAC Name1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
SMILESCCOc1cc(CCCN2CCN(C)CC2)c(Br)cc1OC
InChIInChI=1S/C17H27BrN2O2/c1-4-22-17-12-14(15(18)13-16(17)21-3)6-5-7-20-10-8-19(2)9-11-20/h12-13H,4-11H2,1-3H3
InChIKeyWMMXGVHPKSQRGW-UHFFFAOYSA-N
XLogP3.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629
1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
CID 170863849
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845354
1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
CID 170863940
N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine (CID 170863578) is 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine is CCOc1cc(CCCN2CCN(C)CC2)c(Br)cc1OC.
What is the InChIKey of 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is WMMXGVHPKSQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2/c1-4-22-17-12-14(15(18)13-16(17)21-3)6-5-7-20-10-8-19(2)9-11-20/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 371.32 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).