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1228947-14-5 molecular structure
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(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-ol

ChemBase ID: 294854
Molecular Formular: C10H19NO2
Molecular Mass: 185.26336
Monoisotopic Mass: 185.14157885
SMILES and InChIs

SMILES:
O[C@H]1CC[C@H](N2CCOCC2)CC1
Canonical SMILES:
O[C@@H]1CC[C@H](CC1)N1CCOCC1
InChI:
InChI=1S/C10H19NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h9-10,12H,1-8H2/t9-,10-
InChIKey:
AIFIVCWONKRRJQ-MGCOHNPYSA-N

Cite this record

CBID:294854 http://www.chembase.cn/molecule-294854.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-ol
IUPAC Traditional name
(1r,4r)-4-(morpholin-4-yl)cyclohexan-1-ol
Synonyms
trans-4-Morpholinocyclohexanol
CAS Number
1228947-14-5
MDL Number
MFCD20259655
PubChem SID
180680385
PubChem CID
58205557

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD228100 Please log in.
Data Source Data ID
PubChem 58205557 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.256584  H Acceptors
H Donor LogD (pH = 5.5) -1.9958366 
LogD (pH = 7.4) -0.24411426  Log P 0.38422102 
Molar Refractivity 51.7463 cm3 Polarizability 20.530987 Å3
Polar Surface Area 32.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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