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1152111-14-2 molecular structure
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rel-tert-butyl (3R,5S)-3,5-dimethylpiperazine-1-carboxylate

ChemBase ID: 810243
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
C1[C@H](N[C@H](CN1C(=O)OC(C)(C)C)C)C
Canonical SMILES:
C[C@@H]1N[C@H](C)CN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+
InChIKey:
NUZXPHIQZUYMOR-DTORHVGOSA-N

Cite this record

CBID:810243 http://www.chembase.cn/molecule-810243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-tert-butyl (3R,5S)-3,5-dimethylpiperazine-1-carboxylate
IUPAC Traditional name
rel-tert-butyl (3R,5S)-3,5-dimethylpiperazine-1-carboxylate
Synonyms
1-BOC-CIS-3,5-DIMETHYL-PIPERAZINE
CAS Number
1152111-14-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O28563 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O28563 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0322847  LogD (pH = 7.4) 0.699908 
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

Product Information Bioassay(PubChem)
Purity
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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