(9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol

C15H28NO+ — CID 23826070

IUPAC(9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
SMILESC[N+]1(C2CCC3CCCC2[C@@H]3O)CCCCC1
InChIInChI=1S/C15H28NO/c1-16(10-3-2-4-11-16)14-9-8-12-6-5-7-13(14)15(12)17/h12-15,17H,2-11H2,1H3/q+1/t12?,13?,14?,15-/m1/s1
InChIKeyIMXNJBZKYVFTKA-MLGYPOCJSA-N
MW238.39 g/mol
LogP2.56
Rot. Bonds1

About (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol

(9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol (PubChem CID 23826070) has the molecular formula C15H28NO+ and a molecular weight of 238.39 g/mol. Its IUPAC name is (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
PubChem CID23826070
Molecular FormulaC15H28NO+
Molecular Weight238.39 g/mol
Exact Mass238.22
IUPAC Name(9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
SMILESC[N+]1(C2CCC3CCCC2[C@@H]3O)CCCCC1
InChIInChI=1S/C15H28NO/c1-16(10-3-2-4-11-16)14-9-8-12-6-5-7-13(14)15(12)17/h12-15,17H,2-11H2,1H3/q+1/t12?,13?,14?,15-/m1/s1
InChIKeyIMXNJBZKYVFTKA-MLGYPOCJSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,5S,9S)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
CID 6546708
[(9S)-2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] acetate
CID 42648510
[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanyl] acetate
CID 3094328
[(1R,2S,5S,8R)-2-(1-methylpiperidin-1-ium-1-yl)-8-bicyclo[3.2.1]octanyl] acetate
CID 928184
(1R,2S,5S,9R)-2-piperidin-1-ium-1-ylbicyclo[3.3.1]nonan-9-ol
CID 11872537
1-methyl-1-azoniatricyclo[6.2.2.02,7]dodecan-5-ol iodide
CID 163331066
N-[(1S,2S,5R)-2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine
CID 42620530
(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
2-[(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]ethanol
CID 6955094
(4aS,5R,8aS)-1,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-5-ol
CID 11023335
(4aS,7R,8aR)-1,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-7-ol iodide
CID 11109699

Frequently Asked Questions

What is the IUPAC name of (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol (CID 23826070) is (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol is C[N+]1(C2CCC3CCCC2[C@@H]3O)CCCCC1.
What is the InChIKey of (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
The InChIKey is IMXNJBZKYVFTKA-MLGYPOCJSA-N. The full InChI is InChI=1S/C15H28NO/c1-16(10-3-2-4-11-16)14-9-8-12-6-5-7-13(14)15(12)17/h12-15,17H,2-11H2,1H3/q+1/t12?,13?,14?,15-/m1/s1.
What are the key properties of (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
(9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol has a molecular weight of 238.39 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 23826070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).