Home > Compound List > Compound details
221298-00-6 molecular structure
click picture or here to close

(3-methylpiperidin-3-yl)methanol

ChemBase ID: 242634
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
C1(CNCCC1)(CO)C
Canonical SMILES:
OCC1(C)CCCNC1
InChI:
InChI=1S/C7H15NO/c1-7(6-9)3-2-4-8-5-7/h8-9H,2-6H2,1H3
InChIKey:
DMGCHHGYZKQCNX-UHFFFAOYSA-N

Cite this record

CBID:242634 http://www.chembase.cn/molecule-242634.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-methylpiperidin-3-yl)methanol
IUPAC Traditional name
(3-methylpiperidin-3-yl)methanol
Synonyms
(3-methylpiperidin-3-yl)methanol
CAS Number
221298-00-6
MDL Number
MFCD09055357
PubChem SID
164298544
PubChem CID
19594566

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19594566 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.080205  H Acceptors
H Donor LogD (pH = 5.5) -3.0907338 
LogD (pH = 7.4) -2.2788253  Log P 0.11969018 
Molar Refractivity 37.4798 cm3 Polarizability 15.038956 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.014 expand Show data source
Purity
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