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1208089-44-4 molecular structure
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1-methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride

ChemBase ID: 66603
Molecular Formular: C11H26Cl3N3
Molecular Mass: 306.70324
Monoisotopic Mass: 305.11923089
SMILES and InChIs

SMILES:
N1(CCN(CC1)C1(CCNCC1)C)C.Cl.Cl.Cl
Canonical SMILES:
CN1CCN(CC1)C1(C)CCNCC1.Cl.Cl.Cl
InChI:
InChI=1S/C11H23N3.3ClH/c1-11(3-5-12-6-4-11)14-9-7-13(2)8-10-14;;;/h12H,3-10H2,1-2H3;3*1H
InChIKey:
CZXXPXBSIHHBRX-UHFFFAOYSA-N

Cite this record

CBID:66603 http://www.chembase.cn/molecule-66603.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride
IUPAC Traditional name
1-methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride
Synonyms
1-Methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride
CAS Number
1208089-44-4
MDL Number
MFCD09753042
PubChem SID
162032340
PubChem CID
46738260

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.834367  LogD (pH = 7.4) -3.5341465 
Log P -0.038376097  Molar Refractivity 60.8328 cm3
Polarizability 24.131968 Å3 Polar Surface Area 18.51 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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