Home > Compound List > Compound details
1177351-89-1 molecular structure
click picture or here to close

4-[2-(1H-pyrazol-1-yl)ethyl]piperidine

ChemBase ID: 71809
Molecular Formular: C10H17N3
Molecular Mass: 179.26208
Monoisotopic Mass: 179.14224756
SMILES and InChIs

SMILES:
C1CNCCC1CCn1nccc1
Canonical SMILES:
N1CCC(CC1)CCn1cccn1
InChI:
InChI=1S/C10H17N3/c1-5-12-13(8-1)9-4-10-2-6-11-7-3-10/h1,5,8,10-11H,2-4,6-7,9H2
InChIKey:
PMCPBDFLUJGCTN-UHFFFAOYSA-N

Cite this record

CBID:71809 http://www.chembase.cn/molecule-71809.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
IUPAC Traditional name
4-[2-(pyrazol-1-yl)ethyl]piperidine
Synonyms
4-[2-(1H-Pyrazol-1-yl)ethyl]piperidine
CAS Number
1177351-89-1
MDL Number
MFCD09864355
PubChem SID
162037180
PubChem CID
28064142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28064142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.359643  LogD (pH = 7.4) -1.9031411 
Log P 0.87207973  Molar Refractivity 64.6138 cm3
Polarizability 20.745037 Å3 Polar Surface Area 29.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download 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