Home > Compound List > Compound details
1374975-96-8 molecular structure
click picture or here to close

tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate hydrochloride

ChemBase ID: 288592
Molecular Formular: C11H23ClN2O2
Molecular Mass: 250.76552
Monoisotopic Mass: 250.14480567
SMILES and InChIs

SMILES:
C[C@H]1NC[C@H](C)N(C(=O)OC(C)(C)C)C1.Cl
Canonical SMILES:
C[C@H]1NC[C@@H](N(C1)C(=O)OC(C)(C)C)C.Cl
InChI:
InChI=1S/C11H22N2O2.ClH/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;/h8-9,12H,6-7H2,1-5H3;1H/t8-,9+;/m1./s1
InChIKey:
TWALJKZSNHQOBH-RJUBDTSPSA-N

Cite this record

CBID:288592 http://www.chembase.cn/molecule-288592.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate hydrochloride
IUPAC Traditional name
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate hydrochloride
Synonyms
(2S,5R)-1-Boc-2,5-dimethylpiperazine hydrochloride
CAS Number
1374975-96-8
MDL Number
MFCD13191717
PubChem SID
180674123
PubChem CID
53484924

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD209547 Please log in.
Data Source Data ID
PubChem 53484924 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0662752  LogD (pH = 7.4) 0.6675533 
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
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle