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859833-23-1 molecular structure
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methyl({[4-(piperidin-1-ylmethyl)phenyl]methyl})amine dihydrochloride

ChemBase ID: 55555
Molecular Formular: C14H24Cl2N2
Molecular Mass: 291.25976
Monoisotopic Mass: 290.13165414
SMILES and InChIs

SMILES:
N1(Cc2ccc(cc2)CNC)CCCCC1.Cl.Cl
Canonical SMILES:
CNCc1ccc(cc1)CN1CCCCC1.Cl.Cl
InChI:
InChI=1S/C14H22N2.2ClH/c1-15-11-13-5-7-14(8-6-13)12-16-9-3-2-4-10-16;;/h5-8,15H,2-4,9-12H2,1H3;2*1H
InChIKey:
VEBSTHXHQLTMJG-UHFFFAOYSA-N

Cite this record

CBID:55555 http://www.chembase.cn/molecule-55555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[4-(piperidin-1-ylmethyl)phenyl]methyl})amine dihydrochloride
IUPAC Traditional name
methyl({[4-(piperidin-1-ylmethyl)phenyl]methyl})amine dihydrochloride
Synonyms
N-methyl-N-[4-(piperidin-1-ylmethyl)benzyl]amine dihydrochloride
N-Methyl-1-[4-(piperidin-1-ylmethyl)phenyl]-methanamine dihydrochloride
CAS Number
859833-23-1
MDL Number
MFCD07772864
PubChem SID
162060318
PubChem CID
18525780

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525780 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.148492  LogD (pH = 7.4) -1.6777014 
Log P 2.3233576  Molar Refractivity 69.9907 cm3
Polarizability 27.442162 Å3 Polar Surface Area 15.27 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
Tech expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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