ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate

C14H29N3O2 — CID 63635245

IUPACethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCN(C)C(C)C1)NC
InChIInChI=1S/C14H29N3O2/c1-6-19-13(18)14(3,15-4)7-8-17-10-9-16(5)12(2)11-17/h12,15H,6-11H2,1-5H3
InChIKeyAZIYWGRGZJSZSX-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds6

About ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate

ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 63635245) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID63635245
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nameethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(C)(CCN1CCN(C)C(C)C1)NC
InChIInChI=1S/C14H29N3O2/c1-6-19-13(18)14(3,15-4)7-8-17-10-9-16(5)12(2)11-17/h12,15H,6-11H2,1-5H3
InChIKeyAZIYWGRGZJSZSX-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

ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 55218139
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
ethyl 2-methyl-2-(methylamino)-4-(1,4-oxazepan-4-yl)butanoate
CID 62974767
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64791015
ethyl 5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 103538248
ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63217699
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65246838

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate (CID 63635245) is ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate is CCOC(=O)C(C)(CCN1CCN(C)C(C)C1)NC.
What is the InChIKey of ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is AZIYWGRGZJSZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-19-13(18)14(3,15-4)7-8-17-10-9-16(5)12(2)11-17/h12,15H,6-11H2,1-5H3.
What are the key properties of ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate?
ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate 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 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 63635245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).