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

C15H28NO+ — CID 2832764

IUPAC2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
SMILESC[N+]1(C2CCC3CCCC2C3O)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
InChIKeyIMXNJBZKYVFTKA-UHFFFAOYSA-N
MW238.39 g/mol
LogP2.56
Rot. Bonds1

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

2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol (PubChem CID 2832764) has the molecular formula C15H28NO+ and a molecular weight of 238.39 g/mol. Its IUPAC name is 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
PubChem CID2832764
Molecular FormulaC15H28NO+
Molecular Weight238.39 g/mol
Exact Mass238.22
IUPAC Name2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol
SMILESC[N+]1(C2CCC3CCCC2C3O)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
InChIKeyIMXNJBZKYVFTKA-UHFFFAOYSA-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

CID 12004735
CID 12004735
CID 659331
CID 659331
CID 2832763
CID 2832763
CID 566968
CID 566968
CID 573545
CID 573545
CID 423265
CID 423265
CID 2866975
CID 2866975
CID 3148891
CID 3148891
CID 13244764
CID 13244764
CID 2832762
CID 2832762
CID 2867519
CID 2867519
CID 50985678
CID 50985678

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol (CID 2832764) is 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol is C[N+]1(C2CCC3CCCC2C3O)CCCCC1.
What is the InChIKey of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
The InChIKey is IMXNJBZKYVFTKA-UHFFFAOYSA-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.
What are the key properties of 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol?
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 2-(1-methylpiperidin-1-ium-1-yl)bicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 2832764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).