2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

C14H18ClNO — CID 3067892

IUPAC2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESC=C1N2CCC(CC2)C1(O)c1ccccc1.Cl
InChIInChI=1S/C14H17NO.ClH/c1-11-14(16,12-5-3-2-4-6-12)13-7-9-15(11)10-8-13;/h2-6,13,16H,1,7-10H2;1H
InChIKeyFOTGKNUQFCQPNE-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.54
Rot. Bonds1

About 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (PubChem CID 3067892) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
PubChem CID3067892
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESC=C1N2CCC(CC2)C1(O)c1ccccc1.Cl
InChIInChI=1S/C14H17NO.ClH/c1-11-14(16,12-5-3-2-4-6-12)13-7-9-15(11)10-8-13;/h2-6,13,16H,1,7-10H2;1H
InChIKeyFOTGKNUQFCQPNE-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The IUPAC name of 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (CID 3067892) is 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.
What is the SMILES notation for 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The canonical SMILES for 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is C=C1N2CCC(CC2)C1(O)c1ccccc1.Cl.
What is the InChIKey of 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The InChIKey is FOTGKNUQFCQPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.ClH/c1-11-14(16,12-5-3-2-4-6-12)13-7-9-15(11)10-8-13;/h2-6,13,16H,1,7-10H2;1H.
What are the key properties of 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is sourced from PubChem (CID 3067892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).