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116797-02-5 molecular structure
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4-methyl-1-(piperidin-4-yl)piperidine hydrochloride

ChemBase ID: 24608
Molecular Formular: C11H23ClN2
Molecular Mass: 218.76672
Monoisotopic Mass: 218.15497643
SMILES and InChIs

SMILES:
N1(C2CCNCC2)CCC(CC1)C.Cl
Canonical SMILES:
CC1CCN(CC1)C1CCNCC1.Cl
InChI:
InChI=1S/C11H22N2.ClH/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11;/h10-12H,2-9H2,1H3;1H
InChIKey:
VZZZNEWHRINDDR-UHFFFAOYSA-N

Cite this record

CBID:24608 http://www.chembase.cn/molecule-24608.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-1-(piperidin-4-yl)piperidine hydrochloride
IUPAC Traditional name
4-methyl-1-(piperidin-4-yl)piperidine hydrochloride
Synonyms
4-Methyl-1,4'-bipiperidine hydrochloride
CAS Number
116797-02-5
MDL Number
MFCD17676095
PubChem SID
160987915
PubChem CID
56829415

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 56829415 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.96307  LogD (pH = 7.4) -2.910813 
Log P 0.9713129  Molar Refractivity 56.8351 cm3
Polarizability 22.610828 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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