ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate

C14H29N3O2 — CID 114087381

IUPACethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CCN(C)CC1C)C(=O)OCC
InChIInChI=1S/C14H29N3O2/c1-6-15-14(4,13(18)19-7-2)11-17-9-8-16(5)10-12(17)3/h12,15H,6-11H2,1-5H3
InChIKeyFPGBINLITZTSCY-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds6

About ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate

ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate (PubChem CID 114087381) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate
PubChem CID114087381
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nameethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CCN(C)CC1C)C(=O)OCC
InChIInChI=1S/C14H29N3O2/c1-6-15-14(4,13(18)19-7-2)11-17-9-8-16(5)10-12(17)3/h12,15H,6-11H2,1-5H3
InChIKeyFPGBINLITZTSCY-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
Ethyl 1,4-dimethylpiperazine-2-carboxylate
CID 2736419
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Methyl 2-methyl-2-(piperazin-1-yl)propanoate
CID 61001258
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424
Methyl Piperazine-2-carboxylate
CID 2760426
Methyl 1-acetylpiperazine-2-carboxylate
CID 45115682
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428
Methyl 3-(dimethylamino)-2-methyl-2-(methylamino)propanoate
CID 61911664
Methyl 2-amino-3-(morpholin-4-yl)propanoate dihydrochloride
CID 91662887

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate (CID 114087381) is ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate is CCNC(C)(CN1CCN(C)CC1C)C(=O)OCC.
What is the InChIKey of ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate?
The InChIKey is FPGBINLITZTSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-15-14(4,13(18)19-7-2)11-17-9-8-16(5)10-12(17)3/h12,15H,6-11H2,1-5H3.
What are the key properties of ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate?
ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate has a molecular weight of 271.40 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 114087381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).