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

C16H26N2O2 — CID 170862265

IUPAC1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1ccc(OC)c(CCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-17-9-11-18(12-10-17)8-4-5-14-13-15(19-2)6-7-16(14)20-3/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyQKRYTZONULFISD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.88
Rot. Bonds6

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

1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170862265) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170862265
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1ccc(OC)c(CCCN2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-17-9-11-18(12-10-17)8-4-5-14-13-15(19-2)6-7-16(14)20-3/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyQKRYTZONULFISD-UHFFFAOYSA-N
XLogP1.88
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-4-methylpiperazine
CID 170863940
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
1-[3-(4-bromo-2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862894
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 82889010
5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole
CID 170864106
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine (CID 170862265) is 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine is COc1ccc(OC)c(CCCN2CCN(C)CC2)c1.
What is the InChIKey of 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is QKRYTZONULFISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-9-11-18(12-10-17)8-4-5-14-13-15(19-2)6-7-16(14)20-3/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 278.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170862265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).