2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

C15H20ClNO — CID 3067898

IUPAC2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESC=C1N2CCC(CC2)C1(O)c1ccc(C)cc1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-11-3-5-13(6-4-11)15(17)12(2)16-9-7-14(15)8-10-16;/h3-6,14,17H,2,7-10H2,1H3;1H
InChIKeyJOQWMUPYRUSRSK-UHFFFAOYSA-N
MW265.78 g/mol
LogP2.84
Rot. Bonds1

About 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (PubChem CID 3067898) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
PubChem CID3067898
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESC=C1N2CCC(CC2)C1(O)c1ccc(C)cc1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-11-3-5-13(6-4-11)15(17)12(2)16-9-7-14(15)8-10-16;/h3-6,14,17H,2,7-10H2,1H3;1H
InChIKeyJOQWMUPYRUSRSK-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The IUPAC name of 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (CID 3067898) is 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.
What is the SMILES notation for 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The canonical SMILES for 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is C=C1N2CCC(CC2)C1(O)c1ccc(C)cc1.Cl.
What is the InChIKey of 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The InChIKey is JOQWMUPYRUSRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-11-3-5-13(6-4-11)15(17)12(2)16-9-7-14(15)8-10-16;/h3-6,14,17H,2,7-10H2,1H3;1H.
What are the key properties of 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is sourced from PubChem (CID 3067898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).