ethyl 2-methyl-2-piperazin-1-ylbutanoate

C11H22N2O2 — CID 61001895

IUPACethyl 2-methyl-2-piperazin-1-ylbutanoate
SMILESCCOC(=O)C(C)(CC)N1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-4-11(3,10(14)15-5-2)13-8-6-12-7-9-13/h12H,4-9H2,1-3H3
InChIKeySGNOBYIHRFZWHY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About ethyl 2-methyl-2-piperazin-1-ylbutanoate

ethyl 2-methyl-2-piperazin-1-ylbutanoate (PubChem CID 61001895) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-methyl-2-piperazin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-piperazin-1-ylbutanoate
PubChem CID61001895
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-methyl-2-piperazin-1-ylbutanoate
SMILESCCOC(=O)C(C)(CC)N1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-4-11(3,10(14)15-5-2)13-8-6-12-7-9-13/h12H,4-9H2,1-3H3
InChIKeySGNOBYIHRFZWHY-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-methoxy-2,4-dimethyl-2-piperazin-1-ylpentanoate
CID 54895223
ethyl 2-methyl-2-piperazin-1-ylnonanoate
CID 61002741
ethyl 2-(1,4-diazepan-1-yl)-3-methoxy-2-methylpropanoate
CID 62536282
ethyl 2-(1,4-diazepan-1-yl)-2,4-dimethylpentanoate
CID 54890908
ethyl 3-(4-fluorophenyl)-2-methyl-2-piperazin-1-ylpropanoate
CID 114832094
ethyl 2-cyclopropyl-2-(1,4-diazepan-1-yl)pentanoate
CID 114276047
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylpropanoate
CID 61002025
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylbutanoate
CID 61002494
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897
ethyl 2-(1,4-diazepan-1-yl)-2-phenylpropanoate
CID 60992972
ethyl 2-(2-fluorophenyl)-2-piperazin-1-ylpropanoate
CID 61002272
methyl 2-methyl-2-piperazin-1-yloctanoate
CID 54894792

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-piperazin-1-ylbutanoate?
The IUPAC name of ethyl 2-methyl-2-piperazin-1-ylbutanoate (CID 61001895) is ethyl 2-methyl-2-piperazin-1-ylbutanoate.
What is the SMILES notation for ethyl 2-methyl-2-piperazin-1-ylbutanoate?
The canonical SMILES for ethyl 2-methyl-2-piperazin-1-ylbutanoate is CCOC(=O)C(C)(CC)N1CCNCC1.
What is the InChIKey of ethyl 2-methyl-2-piperazin-1-ylbutanoate?
The InChIKey is SGNOBYIHRFZWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-11(3,10(14)15-5-2)13-8-6-12-7-9-13/h12H,4-9H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-piperazin-1-ylbutanoate?
ethyl 2-methyl-2-piperazin-1-ylbutanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-piperazin-1-ylbutanoate is sourced from PubChem (CID 61001895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).