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35090-96-1 molecular structure
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4-(piperidine-3-carbonyl)morpholine

ChemBase ID: 15742
Molecular Formular: C10H18N2O2
Molecular Mass: 198.26212
Monoisotopic Mass: 198.13682783
SMILES and InChIs

SMILES:
N1CC(CCC1)C(=O)N1CCOCC1
Canonical SMILES:
O=C(N1CCOCC1)C1CCCNC1
InChI:
InChI=1S/C10H18N2O2/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12/h9,11H,1-8H2
InChIKey:
GPAQRKAOFPLUCJ-UHFFFAOYSA-N

Cite this record

CBID:15742 http://www.chembase.cn/molecule-15742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidine-3-carbonyl)morpholine
IUPAC Traditional name
4-(piperidine-3-carbonyl)morpholine
Synonyms
4-(Piperidin-3-ylcarbonyl)morpholine
4-(piperidin-3-ylcarbonyl)morpholine hydrochloride
CAS Number
35090-96-1
MDL Number
MFCD07781104
MFCD06740220
PubChem SID
160979049
PubChem CID
16227662

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16227662 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7279472  LogD (pH = 7.4) -2.7095149 
Log P -0.5419513  Molar Refractivity 53.6114 cm3
Polarizability 21.132917 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
-0.734 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
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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