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90729-01-4 molecular structure
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ethyl 1,4-dimethylpiperazine-2-carboxylate

ChemBase ID: 88043
Molecular Formular: C9H18N2O2
Molecular Mass: 186.25142
Monoisotopic Mass: 186.13682783
SMILES and InChIs

SMILES:
N1(CC(C(=O)OCC)N(C)CC1)C
Canonical SMILES:
CCOC(=O)C1CN(C)CCN1C
InChI:
InChI=1S/C9H18N2O2/c1-4-13-9(12)8-7-10(2)5-6-11(8)3/h8H,4-7H2,1-3H3
InChIKey:
RRXUQLWWJFBPKT-UHFFFAOYSA-N

Cite this record

CBID:88043 http://www.chembase.cn/molecule-88043.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1,4-dimethylpiperazine-2-carboxylate
IUPAC Traditional name
ethyl 1,4-dimethylpiperazine-2-carboxylate
Synonyms
Ethyl 1,4-dimethylpiperazine-2-carboxylate 97%
Ethyl 1,4-dimethylpiperazine-2-carboxylate
CAS Number
90729-01-4
MDL Number
MFCD00173923
PubChem SID
162075083
PubChem CID
2736419

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736419 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8830335  LogD (pH = 7.4) -0.19948363 
Log P 0.22993065  Molar Refractivity 51.3858 cm3
Polarizability 20.40019 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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