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690632-84-9 molecular structure
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[2-(piperidin-1-yl)pyridin-3-yl]methanol

ChemBase ID: 101744
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
c1(N2CCCCC2)c(CO)cccn1
Canonical SMILES:
OCc1cccnc1N1CCCCC1
InChI:
InChI=1S/C11H16N2O/c14-9-10-5-4-6-12-11(10)13-7-2-1-3-8-13/h4-6,14H,1-3,7-9H2
InChIKey:
HGYMJKQSUHUNAO-UHFFFAOYSA-N

Cite this record

CBID:101744 http://www.chembase.cn/molecule-101744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(piperidin-1-yl)pyridin-3-yl]methanol
IUPAC Traditional name
[2-(piperidin-1-yl)pyridin-3-yl]methanol
Synonyms
(2-piperidino-3-pyridinyl)methanol
(2-(Piperidin-1-yl)pyridin-3-yl)methanol
CAS Number
690632-84-9
MDL Number
MFCD05664424
PubChem SID
162088546
PubChem CID
2794675

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794675 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.647413  H Acceptors
H Donor LogD (pH = 5.5) 0.9016141 
LogD (pH = 7.4) 1.5209079  Log P 1.5410911 
Molar Refractivity 57.6011 cm3 Polarizability 21.500813 Å3
Polar Surface Area 36.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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