1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine

C17H36N4O2 — CID 135180480

IUPAC1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine
SMILESCOCCCCN1CCN(OCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H36N4O2/c1-18-8-10-20(11-9-18)7-5-17-23-21-14-12-19(13-15-21)6-3-4-16-22-2/h3-17H2,1-2H3
InChIKeySELYQUYLJSFDTL-UHFFFAOYSA-N
MW328.50 g/mol
LogP0.60
Rot. Bonds10

About 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine

1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine (PubChem CID 135180480) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine
PubChem CID135180480
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC Name1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine
SMILESCOCCCCN1CCN(OCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C17H36N4O2/c1-18-8-10-20(11-9-18)7-5-17-23-21-14-12-19(13-15-21)6-3-4-16-22-2/h3-17H2,1-2H3
InChIKeySELYQUYLJSFDTL-UHFFFAOYSA-N
XLogP0.60
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 50.60
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

1,4-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
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-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
CID 104649772
1-(2-chloroethyl)-4-(4-methoxybutyl)piperazine
CID 104649698
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
CID 118890200
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
1-(3-methoxypropoxy)pyrrolidine
CID 140972453
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
ethane;4-(4-methoxybutyl)thiomorpholine
CID 143134021

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine?
The IUPAC name of 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine (CID 135180480) is 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine.
What is the SMILES notation for 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine?
The canonical SMILES for 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine is COCCCCN1CCN(OCCCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine?
The InChIKey is SELYQUYLJSFDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O2/c1-18-8-10-20(11-9-18)7-5-17-23-21-14-12-19(13-15-21)6-3-4-16-22-2/h3-17H2,1-2H3.
What are the key properties of 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine?
1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine has a molecular weight of 328.50 g/mol, XLogP of 0.60, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine is sourced from PubChem (CID 135180480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).