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

C15H28INO — CID 2832763

IUPAC2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide
SMILESC[N+]1(C2CCC3CCCC2C3O)CCCCC1.[I-]
InChIInChI=1S/C15H28NO.HI/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;1H/q+1;/p-1
InChIKeyNYHLCDDTEPDWGB-UHFFFAOYSA-M
MW365.30 g/mol
LogP-0.44
Rot. Bonds1

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

2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide (PubChem CID 2832763) has the molecular formula C15H28INO and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide.

Molecular Properties

Compound Name2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide
PubChem CID2832763
Molecular FormulaC15H28INO
Molecular Weight365.30 g/mol
Exact Mass365.12
IUPAC Name2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide
SMILESC[N+]1(C2CCC3CCCC2C3O)CCCCC1.[I-]
InChIInChI=1S/C15H28NO.HI/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;1H/q+1;/p-1
InChIKeyNYHLCDDTEPDWGB-UHFFFAOYSA-M
XLogP-0.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12004735
CID 12004735
CID 566968
CID 566968
CID 573545
CID 573545
CID 423265
CID 423265
CID 2832764
CID 2832764
CID 3148891
CID 3148891
CID 2832762
CID 2832762
CID 2867519
CID 2867519
CID 50985678
CID 50985678
CID 567926
CID 567926
CID 21293376
CID 21293376
CID 21293377
CID 21293377

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide?
The IUPAC name of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide (CID 2832763) is 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide.
What is the SMILES notation for 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide?
The canonical SMILES for 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide is C[N+]1(C2CCC3CCCC2C3O)CCCCC1.[I-].
What is the InChIKey of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide?
The InChIKey is NYHLCDDTEPDWGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H28NO.HI/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;1H/q+1;/p-1.
What are the key properties of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide?
2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide has a molecular weight of 365.30 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol iodide is sourced from PubChem (CID 2832763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).