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688363-66-8 molecular structure
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tert-butyl 2,6-dimethylpiperazine-1-carboxylate

ChemBase ID: 272873
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
C(=O)(N1C(CNCC1C)C)OC(C)(C)C
Canonical SMILES:
CC1CNCC(N1C(=O)OC(C)(C)C)C
InChI:
InChI=1S/C11H22N2O2/c1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKey:
RBOGBIZGALIITO-UHFFFAOYSA-N

Cite this record

CBID:272873 http://www.chembase.cn/molecule-272873.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2,6-dimethylpiperazine-1-carboxylate
IUPAC Traditional name
tert-butyl 2,6-dimethylpiperazine-1-carboxylate
Synonyms
1-Boc-2,6-dimethylpiperazine
tert-butyl 2,6-dimethylpiperazine-1-carboxylate
CAS Number
688363-66-8
MDL Number
MFCD07371653
PubChem SID
164328783
PubChem CID
22219926

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22219926 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1065698  LogD (pH = 7.4) 0.6278067 
Log P 1.3875363  Molar Refractivity 59.2815 cm3
Polarizability 23.692034 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
61 - 63°C expand Show data source
Hydrophobicity(logP)
2.603 expand Show data source
Purity
95% expand Show data source
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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