1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine

C16H25BrN2O2 — CID 170862894

IUPAC1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1cc(CCCN2CCN(C)CC2)c(OC)cc1Br
InChIInChI=1S/C16H25BrN2O2/c1-18-7-9-19(10-8-18)6-4-5-13-11-16(21-3)14(17)12-15(13)20-2/h11-12H,4-10H2,1-3H3
InChIKeyVZPPKURSUSBPTJ-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.65
Rot. Bonds6

About 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine

1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170862894) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170862894
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1cc(CCCN2CCN(C)CC2)c(OC)cc1Br
InChIInChI=1S/C16H25BrN2O2/c1-18-7-9-19(10-8-18)6-4-5-13-11-16(21-3)14(17)12-15(13)20-2/h11-12H,4-10H2,1-3H3
InChIKeyVZPPKURSUSBPTJ-UHFFFAOYSA-N
XLogP2.65
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
CID 170863940
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
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
2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862555
1-[3-[5-bromo-2-(2-methylpropoxy)phenyl]propyl]-4-methylpiperazine
CID 170863712
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845354

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine (CID 170862894) is 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine is COc1cc(CCCN2CCN(C)CC2)c(OC)cc1Br.
What is the InChIKey of 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is VZPPKURSUSBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-18-7-9-19(10-8-18)6-4-5-13-11-16(21-3)14(17)12-15(13)20-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 357.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170862894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).