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3197-44-2 molecular structure
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[(2R)-piperidin-2-yl]methanol

ChemBase ID: 796106
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-/m1/s1
InChIKey:
PRAYXGYYVXRDDW-ZCFIWIBFSA-N

Cite this record

CBID:796106 http://www.chembase.cn/molecule-796106.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2R)-piperidin-2-yl]methanol
IUPAC Traditional name
(2R)-piperidin-2-ylmethanol
Synonyms
(R)-Piperidin-2-ylMethanol
CAS Number
3197-44-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1451 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1451 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.120575  H Acceptors
H Donor LogD (pH = 5.5) -3.1817188 
LogD (pH = 7.4) -2.352846  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 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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