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1246651-15-9 molecular structure
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2-[(2S)-piperazin-2-yl]ethan-1-ol dihydrochloride

ChemBase ID: 291763
Molecular Formular: C6H16Cl2N2O
Molecular Mass: 203.11004
Monoisotopic Mass: 202.0639685
SMILES and InChIs

SMILES:
OCC[C@@H]1NCCNC1.Cl.Cl
Canonical SMILES:
OCC[C@@H]1NCCNC1.Cl.Cl
InChI:
InChI=1S/C6H14N2O.2ClH/c9-4-1-6-5-7-2-3-8-6;;/h6-9H,1-5H2;2*1H/t6-;;/m0../s1
InChIKey:
DSFHLVUORJMPAB-ILKKLZGPSA-N

Cite this record

CBID:291763 http://www.chembase.cn/molecule-291763.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2S)-piperazin-2-yl]ethan-1-ol dihydrochloride
IUPAC Traditional name
2-[(2S)-piperazin-2-yl]ethanol dihydrochloride
Synonyms
(S)-2-(Piperazin-2-yl)ethanol dihydrochloride
CAS Number
1246651-15-9
PubChem SID
180677294
PubChem CID
44829115

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD233802 Please log in.
Data Source Data ID
PubChem 44829115 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.92218  H Acceptors
H Donor LogD (pH = 5.5) -4.5413404 
LogD (pH = 7.4) -3.1753817  Log P -1.299182 
Molar Refractivity 36.2767 cm3 Polarizability 14.724356 Å3
Polar Surface Area 44.29 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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