Home > Compound List > Compound details
1185293-78-0 molecular structure
click picture or here to close

3-(1H-imidazol-1-ylmethyl)piperidine

ChemBase ID: 307141
Molecular Formular: C9H15N3
Molecular Mass: 165.2355
Monoisotopic Mass: 165.1265975
SMILES and InChIs

SMILES:
n1cn(cc1)CC1CNCCC1
Canonical SMILES:
C1CCC(CN1)Cn1cncc1
InChI:
InChI=1S/C9H15N3/c1-2-9(6-10-3-1)7-12-5-4-11-8-12/h4-5,8-10H,1-3,6-7H2
InChIKey:
KFQCTIRXHQSXEZ-UHFFFAOYSA-N

Cite this record

CBID:307141 http://www.chembase.cn/molecule-307141.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1H-imidazol-1-ylmethyl)piperidine
IUPAC Traditional name
3-(imidazol-1-ylmethyl)piperidine
Synonyms
3-(1H-imidazol-1-ylmethyl)piperidine
CAS Number
1185293-78-0
MDL Number
MFCD08059852

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4011872 external link Add to cart
Data Source Data ID Price
ChemBridge
4011872 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.539308  LogD (pH = 7.4) -2.605954 
Log P 0.22436753  Molar Refractivity 48.7851 cm3
Polarizability 18.907555 Å3 Polar Surface Area 29.85 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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