6-(azocan-1-ylmethyl)pyridin-3-ol

C13H20N2O — CID 82977011

IUPAC6-(azocan-1-ylmethyl)pyridin-3-ol
SMILESOc1ccc(CN2CCCCCCC2)nc1
InChIInChI=1S/C13H20N2O/c16-13-7-6-12(14-10-13)11-15-8-4-2-1-3-5-9-15/h6-7,10,16H,1-5,8-9,11H2
InChIKeyBOYJETZFIYNZKC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.55
Rot. Bonds2

About 6-(azocan-1-ylmethyl)pyridin-3-ol

6-(azocan-1-ylmethyl)pyridin-3-ol (PubChem CID 82977011) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-(azocan-1-ylmethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(azocan-1-ylmethyl)pyridin-3-ol
PubChem CID82977011
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-(azocan-1-ylmethyl)pyridin-3-ol
SMILESOc1ccc(CN2CCCCCCC2)nc1
InChIInChI=1S/C13H20N2O/c16-13-7-6-12(14-10-13)11-15-8-4-2-1-3-5-9-15/h6-7,10,16H,1-5,8-9,11H2
InChIKeyBOYJETZFIYNZKC-UHFFFAOYSA-N
XLogP2.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82974194
6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol
CID 82979220
6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82979433
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyridin-3-ol
CID 82974168
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
6-[(3,5-dimethylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82975085
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
6-(8-oxa-2-azaspiro[4.5]decan-2-ylmethyl)pyridin-3-ol
CID 113383767
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol
CID 82983087
7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82983264

Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-ylmethyl)pyridin-3-ol?
The IUPAC name of 6-(azocan-1-ylmethyl)pyridin-3-ol (CID 82977011) is 6-(azocan-1-ylmethyl)pyridin-3-ol.
What is the SMILES notation for 6-(azocan-1-ylmethyl)pyridin-3-ol?
The canonical SMILES for 6-(azocan-1-ylmethyl)pyridin-3-ol is Oc1ccc(CN2CCCCCCC2)nc1.
What is the InChIKey of 6-(azocan-1-ylmethyl)pyridin-3-ol?
The InChIKey is BOYJETZFIYNZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13-7-6-12(14-10-13)11-15-8-4-2-1-3-5-9-15/h6-7,10,16H,1-5,8-9,11H2.
What are the key properties of 6-(azocan-1-ylmethyl)pyridin-3-ol?
6-(azocan-1-ylmethyl)pyridin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-ylmethyl)pyridin-3-ol is sourced from PubChem (CID 82977011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).