Home > Compound List > Compound details
41373-39-1 molecular structure
click picture or here to close

[(2S)-piperidin-2-yl]methanol

ChemBase ID: 796296
Molecular Formular: C6H13NO
Molecular Mass: 115.17352
Monoisotopic Mass: 115.09971404
SMILES and InChIs

SMILES:
C(O)[C@H]1NCCCC1
Canonical SMILES:
OC[C@@H]1CCCCN1
InChI:
InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2/t6-/m0/s1
InChIKey:
PRAYXGYYVXRDDW-LURJTMIESA-N

Cite this record

CBID:796296 http://www.chembase.cn/molecule-796296.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S)-piperidin-2-yl]methanol
IUPAC Traditional name
(2S)-piperidin-2-ylmethanol
Synonyms
(S)-Piperidin-2-ylMethanol
CAS Number
41373-39-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2185 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2185 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 0.027152717  Molar Refractivity 32.7979 cm3
Polarizability 13.196873 Å3 Polar Surface Area 32.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 15.120575  H Acceptors
H Donor LogD (pH = 5.5) -3.1817188 
LogD (pH = 7.4) -2.352846 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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