1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine

C17H28N2O4 — CID 134105359

IUPAC1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
SMILESCOc1cc(COCCN2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O4/c1-18-5-7-19(8-6-18)9-10-23-13-14-11-15(20-2)17(22-4)16(12-14)21-3/h11-12H,5-10,13H2,1-4H3
InChIKeyQNVCOVMONGRGCS-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.48
Rot. Bonds8

About 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine

1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine (PubChem CID 134105359) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
PubChem CID134105359
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
SMILESCOc1cc(COCCN2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O4/c1-18-5-7-19(8-6-18)9-10-23-13-14-11-15(20-2)17(22-4)16(12-14)21-3/h11-12H,5-10,13H2,1-4H3
InChIKeyQNVCOVMONGRGCS-UHFFFAOYSA-N
XLogP1.48
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 3070229
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 10496079
1,4-bis[5-(3,4,5-trimethoxyphenyl)pentyl]-1,4-diazepane
CID 15227840
1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
CID 11341288
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
CID 82353691
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91333279
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine (CID 134105359) is 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine is COc1cc(COCCN2CCN(C)CC2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine?
The InChIKey is QNVCOVMONGRGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-18-5-7-19(8-6-18)9-10-23-13-14-11-15(20-2)17(22-4)16(12-14)21-3/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine?
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine has a molecular weight of 324.42 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 134105359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).