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759402-42-1 molecular structure
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2-(piperazin-1-yl)cyclohexan-1-ol

ChemBase ID: 18026
Molecular Formular: C10H20N2O
Molecular Mass: 184.2786
Monoisotopic Mass: 184.15756327
SMILES and InChIs

SMILES:
N1(C2C(O)CCCC2)CCNCC1
Canonical SMILES:
OC1CCCCC1N1CCNCC1
InChI:
InChI=1S/C10H20N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h9-11,13H,1-8H2
InChIKey:
FQHUZPOZJAVZIW-UHFFFAOYSA-N

Cite this record

CBID:18026 http://www.chembase.cn/molecule-18026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperazin-1-yl)cyclohexan-1-ol
IUPAC Traditional name
2-(piperazin-1-yl)cyclohexan-1-ol
Synonyms
2-Piperazin-1-yl-cyclohexanol
2-piperazin-1-ylcyclohexanol
CAS Number
759402-42-1
MDL Number
MFCD07801128
PubChem SID
160981333
PubChem CID
6484175

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6484175 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.596604  H Acceptors
H Donor LogD (pH = 5.5) -3.1763966 
LogD (pH = 7.4) -1.8960305  Log P 0.37860802 
Molar Refractivity 53.1192 cm3 Polarizability 21.362965 Å3
Polar Surface Area 35.5 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
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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