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MFCD17480392 molecular structure
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tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate

ChemBase ID: 270452
Molecular Formular: C12H24N2O3
Molecular Mass: 244.33056
Monoisotopic Mass: 244.17869264
SMILES and InChIs

SMILES:
C(=O)(N1CCN(CC1)C(CO)C)OC(C)(C)C
Canonical SMILES:
OCC(N1CCN(CC1)C(=O)OC(C)(C)C)C
InChI:
InChI=1S/C12H24N2O3/c1-10(9-15)13-5-7-14(8-6-13)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3
InChIKey:
OLQYUDUDNCDQPU-UHFFFAOYSA-N

Cite this record

CBID:270452 http://www.chembase.cn/molecule-270452.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
Synonyms
tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
MDL Number
MFCD17480392
PubChem SID
164326362
PubChem CID
50987509

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69338 external link Add to cart Please log in.
Data Source Data ID
PubChem 50987509 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121408  H Acceptors
H Donor LogD (pH = 5.5) -0.8399721 
LogD (pH = 7.4) 0.51999646  Log P 0.6639072 
Molar Refractivity 66.4497 cm3 Polarizability 26.169937 Å3
Polar Surface Area 53.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.874 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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