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

C14H19ClNO- — CID 53352407

IUPAC3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride
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/p-1
InChIKeyFPMWORYPFGFSJS-UHFFFAOYSA-M
MW252.76 g/mol
LogP-1.09
Rot. Bonds1

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

3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride (PubChem CID 53352407) has the molecular formula C14H19ClNO- and a molecular weight of 252.76 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride
PubChem CID53352407
Molecular FormulaC14H19ClNO-
Molecular Weight252.76 g/mol
Exact Mass252.12
IUPAC Name3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride
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/p-1
InChIKeyFPMWORYPFGFSJS-UHFFFAOYSA-M
XLogP-1.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.76
LogP ≤ 5-1.09
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 chloride?
The IUPAC name of 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride (CID 53352407) is 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride.
What is the SMILES notation for 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride?
The canonical SMILES for 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride is Cc1ccc(C2(O)CN3CCC2CC3)cc1.[Cl-].
What is the InChIKey of 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride?
The InChIKey is FPMWORYPFGFSJS-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride?
3-(4-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol chloride has a molecular weight of 252.76 g/mol, XLogP of -1.09, 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 chloride is sourced from PubChem (CID 53352407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).