2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine

C24H50N6O2 — CID 135179313

IUPAC2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
SMILESCOCCCOCCN1CCN(C)C(C2CN(CCCN3CCN(C)CC3)CCN2C)C1
InChIInChI=1S/C24H50N6O2/c1-25-9-13-28(14-10-25)7-5-8-29-15-11-26(2)23(21-29)24-22-30(16-12-27(24)3)17-20-32-19-6-18-31-4/h23-24H,5-22H2,1-4H3
InChIKeyOEYIMROEOZTIPN-UHFFFAOYSA-N
MW454.70 g/mol
LogP-0.09
Rot. Bonds12

About 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine

2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine (PubChem CID 135179313) has the molecular formula C24H50N6O2 and a molecular weight of 454.70 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine.

Molecular Properties

Compound Name2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
PubChem CID135179313
Molecular FormulaC24H50N6O2
Molecular Weight454.70 g/mol
Exact Mass454.40
IUPAC Name2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
SMILESCOCCCOCCN1CCN(C)C(C2CN(CCCN3CCN(C)CC3)CCN2C)C1
InChIInChI=1S/C24H50N6O2/c1-25-9-13-28(14-10-25)7-5-8-29-15-11-26(2)23(21-29)24-22-30(16-12-27(24)3)17-20-32-19-6-18-31-4/h23-24H,5-22H2,1-4H3
InChIKeyOEYIMROEOZTIPN-UHFFFAOYSA-N
XLogP-0.09
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.70
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(2-methoxyethyl)piperazine;1,4-dimethylpiperazine;1-(4-methoxybutyl)-4-methylpiperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;1-[3-(2-methoxyethoxy)propyl]-4-methylpiperazine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(6-methoxyhexyl)-4-methylpiperazine);1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
CID 158627962
1,4-bis(2-methoxyethoxy)butane;1,4-bis(2-methoxyethyl)piperazine;1,4-dimethylpiperazine;1-(4-methoxybutyl)-4-methylpiperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;1-[3-(2-methoxyethoxy)propyl]-4-methylpiperazine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(6-methoxyhexyl)-4-methylpiperazine);1-methoxy-5-(4-methoxybutoxy)pentane;1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane;1-methoxy-7-(2-methoxyethoxy)heptane;1-methoxy-6-(3-methoxypropoxy)hexane;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 158374038
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
1,4-bis(2-methoxyethoxy)butane;1,3-bis(2-methoxyethoxy)propane;1,4-dimethoxybutane;1,2-dimethoxyethane;1,6-dimethoxyhexane;1,3-dimethoxypropane;1,4-dimethylpiperazine;methoxyethane;1-(2-methoxyethyl)-4-methylpiperazine;1-methoxy-4-(4-methoxybutoxy)butane;1-methoxy-5-(4-methoxybutoxy)pentane;1-methoxy-4-(2-methoxyethoxy)butane;1-methoxy-2-(2-methoxyethoxy)ethane;bis(1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane;1-methoxy-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;1-methoxy-3-[2-(2-methoxyethoxy)ethoxy]propane;1-methoxy-7-(2-methoxyethoxy)heptane;1-methoxy-6-(2-methoxyethoxy)hexane;1-methoxy-3-(2-methoxyethoxy)propane;1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propane;1-methoxy-6-(3-methoxypropoxy)hexane;1-methoxy-5-(3-methoxypropoxy)pentane;1-methoxy-3-(3-methoxypropoxy)propane;1-methoxypropane
CID 162005731
(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797
1-(2-chloroethyl)-4-[2-(3-methoxypropoxy)ethyl]-1,4-diazepane
CID 103183952
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine?
The IUPAC name of 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine (CID 135179313) is 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine.
What is the SMILES notation for 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine?
The canonical SMILES for 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine is COCCCOCCN1CCN(C)C(C2CN(CCCN3CCN(C)CC3)CCN2C)C1.
What is the InChIKey of 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine?
The InChIKey is OEYIMROEOZTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N6O2/c1-25-9-13-28(14-10-25)7-5-8-29-15-11-26(2)23(21-29)24-22-30(16-12-27(24)3)17-20-32-19-6-18-31-4/h23-24H,5-22H2,1-4H3.
What are the key properties of 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine?
2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine has a molecular weight of 454.70 g/mol, XLogP of -0.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine is sourced from PubChem (CID 135179313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).