Home > Compound List > Compound details
473730-88-0 molecular structure
click picture or here to close

3-methylpiperidin-3-ol

ChemBase ID: 63855
Molecular Formular: C6H13NO
Molecular Mass: 115.17352
Monoisotopic Mass: 115.09971404
SMILES and InChIs

SMILES:
N1CCCC(C)(O)C1
Canonical SMILES:
CC1(O)CCCNC1
InChI:
InChI=1S/C6H13NO/c1-6(8)3-2-4-7-5-6/h7-8H,2-5H2,1H3
InChIKey:
LLDKGUNKYFJNPV-UHFFFAOYSA-N

Cite this record

CBID:63855 http://www.chembase.cn/molecule-63855.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylpiperidin-3-ol
IUPAC Traditional name
3-methylpiperidin-3-ol
Synonyms
3-Methylpiperidin-3-ol
CAS Number
473730-88-0
MDL Number
MFCD09864347
PubChem SID
162029594
PubChem CID
22496626

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22496626 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.69631  H Acceptors
H Donor LogD (pH = 5.5) -3.3484547 
LogD (pH = 7.4) -2.550079  Log P -0.13683929 
Molar Refractivity 32.8351 cm3 Polarizability 13.196873 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.151 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
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