Home > Compound List > Compound details
89122-72-5 molecular structure
click picture or here to close

3-propoxypiperidine

ChemBase ID: 18495
Molecular Formular: C8H17NO
Molecular Mass: 143.22668
Monoisotopic Mass: 143.13101417
SMILES and InChIs

SMILES:
N1CC(OCCC)CCC1
Canonical SMILES:
CCCOC1CCCNC1
InChI:
InChI=1S/C8H17NO/c1-2-6-10-8-4-3-5-9-7-8/h8-9H,2-7H2,1H3
InChIKey:
LFSCFVYWENCMOK-UHFFFAOYSA-N

Cite this record

CBID:18495 http://www.chembase.cn/molecule-18495.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-propoxypiperidine
IUPAC Traditional name
3-propoxypiperidine
Synonyms
3-Propoxy-piperidine
3-propoxypiperidine
CAS Number
89122-72-5
MDL Number
MFCD06408768
PubChem SID
160981802
PubChem CID
4712034

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4712034 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0854027  LogD (pH = 7.4) -1.0971626 
Log P 1.1050409  Molar Refractivity 42.2207 cm3
Polarizability 16.955612 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.308 expand Show data source
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

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