Home > Compound List > Compound details
81310-60-3 molecular structure
click picture or here to close

4-(piperidin-3-ylmethyl)morpholine

ChemBase ID: 16965
Molecular Formular: C10H20N2O
Molecular Mass: 184.2786
Monoisotopic Mass: 184.15756327
SMILES and InChIs

SMILES:
C1(CN2CCOCC2)CCCNC1
Canonical SMILES:
C1CCC(CN1)CN1CCOCC1
InChI:
InChI=1S/C10H20N2O/c1-2-10(8-11-3-1)9-12-4-6-13-7-5-12/h10-11H,1-9H2
InChIKey:
ALFVQZQTMWKLKX-UHFFFAOYSA-N

Cite this record

CBID:16965 http://www.chembase.cn/molecule-16965.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-3-ylmethyl)morpholine
IUPAC Traditional name
4-(piperidin-3-ylmethyl)morpholine
Synonyms
4-Piperidin-3-ylmethyl-morpholine
4-(piperidin-3-ylmethyl)morpholine
CAS Number
81310-60-3
MDL Number
MFCD05022469
PubChem SID
160980272
PubChem CID
3157479

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3157479 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.2335443  LogD (pH = 7.4) -2.7644305 
Log P 0.11758468  Molar Refractivity 53.9382 cm3
Polarizability 21.43625 Å3 Polar Surface Area 24.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.596 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