(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol

C13H24NO+ — CID 11861513

IUPAC(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
SMILESO[C@H]1[C@H]2CC[C@@H]1[C@@H]([NH+]1CCCCC1)CC2
InChIInChI=1S/C13H23NO/c15-13-10-4-6-11(13)12(7-5-10)14-8-2-1-3-9-14/h10-13,15H,1-9H2/p+1/t10-,11+,12-,13-/m0/s1
InChIKeyOTFFUZVPVSDGHV-RNJOBUHISA-O
MW210.34 g/mol
LogP0.60
Rot. Bonds1

About (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol

(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol (PubChem CID 11861513) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
PubChem CID11861513
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Name(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
SMILESO[C@H]1[C@H]2CC[C@@H]1[C@@H]([NH+]1CCCCC1)CC2
InChIInChI=1S/C13H23NO/c15-13-10-4-6-11(13)12(7-5-10)14-8-2-1-3-9-14/h10-13,15H,1-9H2/p+1/t10-,11+,12-,13-/m0/s1
InChIKeyOTFFUZVPVSDGHV-RNJOBUHISA-O
XLogP0.60
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol (CID 11861513) is (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol is O[C@H]1[C@H]2CC[C@@H]1[C@@H]([NH+]1CCCCC1)CC2.
What is the InChIKey of (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol?
The InChIKey is OTFFUZVPVSDGHV-RNJOBUHISA-O. The full InChI is InChI=1S/C13H23NO/c15-13-10-4-6-11(13)12(7-5-10)14-8-2-1-3-9-14/h10-13,15H,1-9H2/p+1/t10-,11+,12-,13-/m0/s1.
What are the key properties of (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol?
(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol has a molecular weight of 210.34 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 11861513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).