6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol

C14H20N2O — CID 82983087

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol
SMILESOc1ccc(CN2CCC3CCCCC32)nc1
InChIInChI=1S/C14H20N2O/c17-13-6-5-12(15-9-13)10-16-8-7-11-3-1-2-4-14(11)16/h5-6,9,11,14,17H,1-4,7-8,10H2
InChIKeySMXHVGXPDIHNLL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.55
Rot. Bonds2

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol (PubChem CID 82983087) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol
PubChem CID82983087
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol
SMILESOc1ccc(CN2CCC3CCCCC32)nc1
InChIInChI=1S/C14H20N2O/c17-13-6-5-12(15-9-13)10-16-8-7-11-3-1-2-4-14(11)16/h5-6,9,11,14,17H,1-4,7-8,10H2
InChIKeySMXHVGXPDIHNLL-UHFFFAOYSA-N
XLogP2.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol (CID 82983087) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol is Oc1ccc(CN2CCC3CCCCC32)nc1.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol?
The InChIKey is SMXHVGXPDIHNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-13-6-5-12(15-9-13)10-16-8-7-11-3-1-2-4-14(11)16/h5-6,9,11,14,17H,1-4,7-8,10H2.
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol has a molecular weight of 232.33 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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)pyridin-3-ol is sourced from PubChem (CID 82983087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).