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205194-11-2 molecular structure
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[(3R)-1-methylpiperidin-3-yl]methanol

ChemBase ID: 77794
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
N1(CCC[C@H](C1)CO)C
Canonical SMILES:
OC[C@@H]1CCCN(C1)C
InChI:
InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKey:
UGXQXVDTGJCQHR-SSDOTTSWSA-N

Cite this record

CBID:77794 http://www.chembase.cn/molecule-77794.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3R)-1-methylpiperidin-3-yl]methanol
IUPAC Traditional name
[(3R)-1-methylpiperidin-3-yl]methanol
Synonyms
[(R)-1-Methylpiperidin-3-yl]methanol
(R)-1-Methyl-3-(hydroxymethyl)piperidine
CAS Number
205194-11-2
PubChem SID
162042659
PubChem CID
920113

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR15995 external link Add to cart Please log in.
Data Source Data ID
PubChem 920113 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.43148  H Acceptors
H Donor LogD (pH = 5.5) -3.3373482 
LogD (pH = 7.4) -1.9548533  Log P 0.010386534 
Molar Refractivity 38.4316 cm3 Polarizability 15.038956 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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