(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol

C14H26NO+ — CID 11872537

IUPAC(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol
SMILESO[C@@H]1[C@H]2CCC[C@@H]1[C@@H]([NH+]1CCCCC1)CC2
InChIInChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2/p+1/t11-,12+,13-,14+/m0/s1
InChIKeyJFIGMNBDLSGWHQ-RFQIPJPRSA-O
MW224.37 g/mol
LogP0.99
Rot. Bonds1

About (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol

(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol (PubChem CID 11872537) has the molecular formula C14H26NO+ and a molecular weight of 224.37 g/mol. Its IUPAC name is (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol
PubChem CID11872537
Molecular FormulaC14H26NO+
Molecular Weight224.37 g/mol
Exact Mass224.20
IUPAC Name(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol
SMILESO[C@@H]1[C@H]2CCC[C@@H]1[C@@H]([NH+]1CCCCC1)CC2
InChIInChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2/p+1/t11-,12+,13-,14+/m0/s1
InChIKeyJFIGMNBDLSGWHQ-RFQIPJPRSA-O
XLogP0.99
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

(1R,2S,5S,8S)-2-piperidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol
CID 11861513
2-pyrrolidin-1-ium-1-ylbicyclo[3.2.1]octan-8-ol chloride
CID 2909605
[(1R,2S,5S,9S)-2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanyl] acetate
CID 11872182
[(1S,2R,5R,9S)-2-pyrrolidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanyl] acetate
CID 50903395
(1R,2R,5S,9S)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
CID 6546708
(9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
CID 23826070
(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
CID 13378917
(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
CID 22814734
(8S,9R,10S,13S,14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57368410
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
CID 140658819
(1S,2R,5R,8R)-bicyclo[3.2.1]octane-2,8-diol
CID 15148369
2-cyclohexyl-5-cyclopentylcyclopentan-1-ol
CID 22937419

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol (CID 11872537) is (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol is O[C@@H]1[C@H]2CCC[C@@H]1[C@@H]([NH+]1CCCCC1)CC2.
What is the InChIKey of (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol?
The InChIKey is JFIGMNBDLSGWHQ-RFQIPJPRSA-O. The full InChI is InChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2/p+1/t11-,12+,13-,14+/m0/s1.
What are the key properties of (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol?
(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol has a molecular weight of 224.37 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 11872537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).