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63214-56-2 molecular structure
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1-methyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride

ChemBase ID: 66374
Molecular Formular: C11H23Cl2N3O
Molecular Mass: 284.22582
Monoisotopic Mass: 283.12181773
SMILES and InChIs

SMILES:
C(=O)(C1CCNCC1)N1CCN(CC1)C.Cl.Cl
Canonical SMILES:
CN1CCN(CC1)C(=O)C1CCNCC1.Cl.Cl
InChI:
InChI=1S/C11H21N3O.2ClH/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;;/h10,12H,2-9H2,1H3;2*1H
InChIKey:
JYYMLZLAIOASOM-UHFFFAOYSA-N

Cite this record

CBID:66374 http://www.chembase.cn/molecule-66374.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride
IUPAC Traditional name
1-methyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride
Synonyms
(4-Methylpiperazin-1-yl)piperidin-4-yl-methanone dihydrochloride
CAS Number
63214-56-2
MDL Number
MFCD05864745
PubChem SID
162032112
PubChem CID
45036889

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45036889 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.3034925  LogD (pH = 7.4) -3.401283 
Log P -0.63223875  Molar Refractivity 60.741 cm3
Polarizability 23.793373 Å3 Polar Surface Area 35.58 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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