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674792-07-5 molecular structure
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tert-butyl 2,2-dimethylpiperazine-1-carboxylate

ChemBase ID: 70755
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
N1(C(CNCC1)(C)C)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCNCC1(C)C)OC(C)(C)C
InChI:
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13,4)5/h12H,6-8H2,1-5H3
InChIKey:
DVMUNQAGXAMHOR-UHFFFAOYSA-N

Cite this record

CBID:70755 http://www.chembase.cn/molecule-70755.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2,2-dimethylpiperazine-1-carboxylate
IUPAC Traditional name
tert-butyl 2,2-dimethylpiperazine-1-carboxylate
Synonyms
tert-Butyl 2,2-dimethylpiperazine-1-carboxylate
1-PIPERAZINECARBOXYLIC ACID, 2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER
CAS Number
674792-07-5
MDL Number
MFCD07371652
PubChem SID
162036468
PubChem CID
29922400

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2428676  LogD (pH = 7.4) 0.49150717 
Log P 1.2515379  Molar Refractivity 59.5009 cm3
Polarizability 23.692034 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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