1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide

C20H24BrNO — CID 3044806

IUPAC1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide
SMILESBr.OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2
InChIInChI=1S/C20H23NO.BrH/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21;/h1-10,16,19,22H,11-15H2;1H
InChIKeyPGPDYCONSZRNSF-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.84
Rot. Bonds3

About 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide

1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide (PubChem CID 3044806) has the molecular formula C20H24BrNO and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide
PubChem CID3044806
Molecular FormulaC20H24BrNO
Molecular Weight374.32 g/mol
Exact Mass373.10
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide
SMILESBr.OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2
InChIInChI=1S/C20H23NO.BrH/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21;/h1-10,16,19,22H,11-15H2;1H
InChIKeyPGPDYCONSZRNSF-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide (CID 3044806) is 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide is Br.OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide?
The InChIKey is PGPDYCONSZRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.BrH/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21;/h1-10,16,19,22H,11-15H2;1H.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide?
1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide has a molecular weight of 374.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrobromide is sourced from PubChem (CID 3044806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).