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

C14H20ClNO — CID 6463336

IUPAC3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESCc1ccc(C2(O)CN3CCC2CC3)cc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-11-2-4-12(5-3-11)14(16)10-15-8-6-13(14)7-9-15;/h2-5,13,16H,6-10H2,1H3;1H
InChIKeyFPMWORYPFGFSJS-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.33
Rot. Bonds1

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

3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (PubChem CID 6463336) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
PubChem CID6463336
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESCc1ccc(C2(O)CN3CCC2CC3)cc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-11-2-4-12(5-3-11)14(16)10-15-8-6-13(14)7-9-15;/h2-5,13,16H,6-10H2,1H3;1H
InChIKeyFPMWORYPFGFSJS-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (CID 6463336) is 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is Cc1ccc(C2(O)CN3CCC2CC3)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The InChIKey is FPMWORYPFGFSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-11-2-4-12(5-3-11)14(16)10-15-8-6-13(14)7-9-15;/h2-5,13,16H,6-10H2,1H3;1H.
What are the key properties of 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is sourced from PubChem (CID 6463336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).