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949100-23-6 molecular structure
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dimethyl({[5-(piperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl})amine

ChemBase ID: 53233
Molecular Formular: C10H18N4O
Molecular Mass: 210.27612
Monoisotopic Mass: 210.14806122
SMILES and InChIs

SMILES:
C1NCCC(C1)c1oc(nn1)CN(C)C
Canonical SMILES:
CN(Cc1nnc(o1)C1CCNCC1)C
InChI:
InChI=1S/C10H18N4O/c1-14(2)7-9-12-13-10(15-9)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKey:
YDDCXJLDQCZFSN-UHFFFAOYSA-N

Cite this record

CBID:53233 http://www.chembase.cn/molecule-53233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl({[5-(piperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl})amine
IUPAC Traditional name
dimethyl({[5-(piperidin-4-yl)-1,3,4-oxadiazol-2-yl]methyl})amine
Synonyms
N,N-Dimethyl-1-(5-(piperidin-4-yl)-1,3,4-oxadiazol-2-yl)methanamine
CAS Number
949100-23-6
MDL Number
MFCD11973742
PubChem SID
162057996
PubChem CID
46835760

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 46835760 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.149689  LogD (pH = 7.4) -3.158752 
Log P -0.8041086  Molar Refractivity 59.7256 cm3
Polarizability 22.4232 Å3 Polar Surface Area 54.19 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

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