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14675-44-6 molecular structure
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(1,4-dimethylpiperazin-2-yl)methanol

ChemBase ID: 82838
Molecular Formular: C7H16N2O
Molecular Mass: 144.21474
Monoisotopic Mass: 144.12626314
SMILES and InChIs

SMILES:
N1(C(CN(CC1)C)CO)C
Canonical SMILES:
OCC1CN(C)CCN1C
InChI:
InChI=1S/C7H16N2O/c1-8-3-4-9(2)7(5-8)6-10/h7,10H,3-6H2,1-2H3
InChIKey:
ZEHZRJZZIYNPKU-UHFFFAOYSA-N

Cite this record

CBID:82838 http://www.chembase.cn/molecule-82838.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1,4-dimethylpiperazin-2-yl)methanol
IUPAC Traditional name
(1,4-dimethylpiperazin-2-yl)methanol
Synonyms
(1,4-dimethyl-2-piperazinyl)methanol
(1,4-Dimethylpiperazin-2-yl)methanol
1,4-Dimethyl-2-(hydroxymethyl)piperazine
CAS Number
14675-44-6
MDL Number
MFCD00174342
PubChem SID
162069957
PubChem CID
2779170

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2779170 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.072581  H Acceptors
H Donor LogD (pH = 5.5) -3.5360148 
LogD (pH = 7.4) -1.8001618  Log P -0.5930459 
Molar Refractivity 42.0007 cm3 Polarizability 16.56564 Å3
Polar Surface Area 26.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
110-112°C/13mm expand Show data source
Storage Warning
Irritant expand Show data source
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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