[6-(azocan-1-yl)-2-pyridinyl]methanol

C13H20N2O — CID 62253750

IUPAC[6-(azocan-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(N2CCCCCCC2)n1
InChIInChI=1S/C13H20N2O/c16-11-12-7-6-8-13(14-12)15-9-4-2-1-3-5-10-15/h6-8,16H,1-5,9-11H2
InChIKeyJHACTXCUEBELRC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.34
Rot. Bonds2

About [6-(azocan-1-yl)-2-pyridinyl]methanol

[6-(azocan-1-yl)-2-pyridinyl]methanol (PubChem CID 62253750) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [6-(azocan-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(azocan-1-yl)-2-pyridinyl]methanol
PubChem CID62253750
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[6-(azocan-1-yl)-2-pyridinyl]methanol
SMILESOCc1cccc(N2CCCCCCC2)n1
InChIInChI=1S/C13H20N2O/c16-11-12-7-6-8-13(14-12)15-9-4-2-1-3-5-10-15/h6-8,16H,1-5,9-11H2
InChIKeyJHACTXCUEBELRC-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(azocan-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-(azocan-1-yl)-2-pyridinyl]methanol (CID 62253750) is [6-(azocan-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(azocan-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(azocan-1-yl)-2-pyridinyl]methanol is OCc1cccc(N2CCCCCCC2)n1.
What is the InChIKey of [6-(azocan-1-yl)-2-pyridinyl]methanol?
The InChIKey is JHACTXCUEBELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-11-12-7-6-8-13(14-12)15-9-4-2-1-3-5-10-15/h6-8,16H,1-5,9-11H2.
What are the key properties of [6-(azocan-1-yl)-2-pyridinyl]methanol?
[6-(azocan-1-yl)-2-pyridinyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azocan-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 62253750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).