(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol

C15H22N2O — CID 82750432

IUPAC(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccnc(N2CCC3CCCCC32)c1
InChIInChI=1S/C15H22N2O/c1-11(18)13-6-8-16-15(10-13)17-9-7-12-4-2-3-5-14(12)17/h6,8,10-12,14,18H,2-5,7,9H2,1H3/t11-,12?,14?/m1/s1
InChIKeyLXYIJJVOBAKCRC-LKSINWNRSA-N
MW246.35 g/mol
LogP2.90
Rot. Bonds2

About (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol

(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol (PubChem CID 82750432) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol
PubChem CID82750432
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccnc(N2CCC3CCCCC32)c1
InChIInChI=1S/C15H22N2O/c1-11(18)13-6-8-16-15(10-13)17-9-7-12-4-2-3-5-14(12)17/h6,8,10-12,14,18H,2-5,7,9H2,1H3/t11-,12?,14?/m1/s1
InChIKeyLXYIJJVOBAKCRC-LKSINWNRSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol (CID 82750432) is (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol is C[C@@H](O)c1ccnc(N2CCC3CCCCC32)c1.
What is the InChIKey of (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol?
The InChIKey is LXYIJJVOBAKCRC-LKSINWNRSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(18)13-6-8-16-15(10-13)17-9-7-12-4-2-3-5-14(12)17/h6,8,10-12,14,18H,2-5,7,9H2,1H3/t11-,12?,14?/m1/s1.
What are the key properties of (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol?
(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol is sourced from PubChem (CID 82750432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).