4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate

C11H23N2O2- — CID 142385933

IUPAC4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate
SMILESCN1CCN(CCOCCCC[O-])CC1
InChIInChI=1S/C11H23N2O2/c1-12-4-6-13(7-5-12)8-11-15-10-3-2-9-14/h2-11H2,1H3/q-1
InChIKeyPQBCAYUZAMDKDB-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.61
Rot. Bonds7

About 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate

4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate (PubChem CID 142385933) has the molecular formula C11H23N2O2- and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate
PubChem CID142385933
Molecular FormulaC11H23N2O2-
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate
SMILESCN1CCN(CCOCCCC[O-])CC1
InChIInChI=1S/C11H23N2O2/c1-12-4-6-13(7-5-12)8-11-15-10-3-2-9-14/h2-11H2,1H3/q-1
InChIKeyPQBCAYUZAMDKDB-UHFFFAOYSA-N
XLogP-0.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
methanamine;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetaldehyde
CID 171070563
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
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-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
2-[4-[2-(3-methoxypropoxy)ethyl]-1-methylpiperazin-2-yl]-1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
CID 135179313
3-[2-(4-methylpiperazin-1-yl)ethoxymethyl]pentan-3-amine
CID 82892100
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
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
2-(4-methylpiperazin-1-yl)ethyl hypoiodite
CID 139514479

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate (CID 142385933) is 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate is CN1CCN(CCOCCCC[O-])CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate?
The InChIKey is PQBCAYUZAMDKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O2/c1-12-4-6-13(7-5-12)8-11-15-10-3-2-9-14/h2-11H2,1H3/q-1.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate?
4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate has a molecular weight of 215.32 g/mol, XLogP of -0.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate is sourced from PubChem (CID 142385933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).