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

C16H28Cl2N2O3 — CID 3070229

IUPAC1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(CCN2CCN(C)CC2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C16H26N2O3.2ClH/c1-17-7-9-18(10-8-17)6-5-13-11-14(19-2)16(21-4)15(12-13)20-3;;/h11-12H,5-10H2,1-4H3;2*1H
InChIKeyHEZNAMNHLJQION-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.35
Rot. Bonds6

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

1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 3070229) has the molecular formula C16H28Cl2N2O3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID3070229
Molecular FormulaC16H28Cl2N2O3
Molecular Weight367.32 g/mol
Exact Mass366.15
IUPAC Name1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(CCN2CCN(C)CC2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C16H26N2O3.2ClH/c1-17-7-9-18(10-8-17)6-5-13-11-14(19-2)16(21-4)15(12-13)20-3;;/h11-12H,5-10H2,1-4H3;2*1H
InChIKeyHEZNAMNHLJQION-UHFFFAOYSA-N
XLogP2.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,5-dihydropyrrole;hydrochloride
CID 3046364
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
CID 134105359
2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 3788798
1,4-bis[5-(3,4,5-trimethoxyphenyl)pentyl]-1,4-diazepane
CID 15227840
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
(2S)-1-(4-chlorophenyl)-2-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
CID 40527419
3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 10496079
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 3070229) is 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride is COc1cc(CCN2CCN(C)CC2)cc(OC)c1OC.Cl.Cl.
What is the InChIKey of 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is HEZNAMNHLJQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.2ClH/c1-17-7-9-18(10-8-17)6-5-13-11-14(19-2)16(21-4)15(12-13)20-3;;/h11-12H,5-10H2,1-4H3;2*1H.
What are the key properties of 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 367.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 3070229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).