Home > Compound List > Compound details
90748-03-1 molecular structure
click picture or here to close

4-(1H-imidazol-1-ylmethyl)piperidine

ChemBase ID: 115985
Molecular Formular: C9H15N3
Molecular Mass: 165.2355
Monoisotopic Mass: 165.1265975
SMILES and InChIs

SMILES:
n1cn(cc1)CC1CCNCC1
Canonical SMILES:
N1CCC(CC1)Cn1cncc1
InChI:
InChI=1S/C9H15N3/c1-3-10-4-2-9(1)7-12-6-5-11-8-12/h5-6,8-10H,1-4,7H2
InChIKey:
ZPCQDEWEJQHOJX-UHFFFAOYSA-N

Cite this record

CBID:115985 http://www.chembase.cn/molecule-115985.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1H-imidazol-1-ylmethyl)piperidine
IUPAC Traditional name
4-(imidazol-1-ylmethyl)piperidine
Synonyms
4-(1H-imidazol-1-ylmethyl)piperidine
4-(1H-imidazol-1-ylmethyl)piperidine dihydrochloride
CAS Number
90748-03-1
MDL Number
MFCD09971171
PubChem SID
162107005
PubChem CID
22662917

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22662917 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.5812907  LogD (pH = 7.4) -2.6577072 
Log P 0.1828108  Molar Refractivity 48.8839 cm3
Polarizability 18.907558 Å3 Polar Surface Area 29.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.46 expand Show data source
Purity
95+% expand Show data source
Salt Data
2 HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle