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65092-19-5 molecular structure
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1'-methyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

ChemBase ID: 59622
Molecular Formular: C11H18N4
Molecular Mass: 206.28742
Monoisotopic Mass: 206.1531466
SMILES and InChIs

SMILES:
c12C3(NCCc1nc[nH]2)CCN(CC3)C
Canonical SMILES:
CN1CCC2(CC1)NCCc1c2[nH]cn1
InChI:
InChI=1S/C11H18N4/c1-15-6-3-11(4-7-15)10-9(2-5-14-11)12-8-13-10/h8,14H,2-7H2,1H3,(H,12,13)
InChIKey:
WOIWXSLYRYEWMI-UHFFFAOYSA-N

Cite this record

CBID:59622 http://www.chembase.cn/molecule-59622.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1'-methyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
IUPAC Traditional name
1'-methyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
Synonyms
1'-Methyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]-pyridine-4,4'-piperidine]
1'-methyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CAS Number
65092-19-5
MDL Number
MFCD09749716
MFCD09791407
PubChem SID
162064385
PubChem CID
12397502

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.588133  H Acceptors
H Donor LogD (pH = 5.5) -4.844349 
LogD (pH = 7.4) -2.3235083  Log P -0.6465875 
Molar Refractivity 60.2108 cm3 Polarizability 23.388693 Å3
Polar Surface Area 43.95 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
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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