1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine

C17H28N2O3 — CID 170862320

IUPAC1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
SMILESCOc1cc(CCCN2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-18-8-10-19(11-9-18)7-5-6-14-12-15(20-2)17(22-4)16(13-14)21-3/h12-13H,5-11H2,1-4H3
InChIKeyWQBWBKFSHPZOMK-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.89
Rot. Bonds7

About 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine

1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine (PubChem CID 170862320) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
PubChem CID170862320
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
SMILESCOc1cc(CCCN2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C17H28N2O3/c1-18-8-10-19(11-9-18)7-5-6-14-12-15(20-2)17(22-4)16(13-14)21-3/h12-13H,5-11H2,1-4H3
InChIKeyWQBWBKFSHPZOMK-UHFFFAOYSA-N
XLogP1.89
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 3070229
1,4-bis[5-(3,4,5-trimethoxyphenyl)pentyl]-1,4-diazepane
CID 15227840
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
CID 134105359
1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol
CID 144811327
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 82070771
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 10496079
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine (CID 170862320) is 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine is COc1cc(CCCN2CCN(C)CC2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine?
The InChIKey is WQBWBKFSHPZOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-18-8-10-19(11-9-18)7-5-6-14-12-15(20-2)17(22-4)16(13-14)21-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine?
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine has a molecular weight of 308.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine is sourced from PubChem (CID 170862320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).