1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol

C22H27NO3 — CID 68961638

IUPAC1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C23CCN(CC2)CC3)cc1
InChIInChI=1S/C22H27NO3/c1-25-19-7-3-17(4-8-19)22(24,18-5-9-20(26-2)10-6-18)21-11-14-23(15-12-21)16-13-21/h3-10,24H,11-16H2,1-2H3
InChIKeyBBVGUDOGEDZFTM-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.43
Rot. Bonds5

About 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol

1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol (PubChem CID 68961638) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol
PubChem CID68961638
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C23CCN(CC2)CC3)cc1
InChIInChI=1S/C22H27NO3/c1-25-19-7-3-17(4-8-19)22(24,18-5-9-20(26-2)10-6-18)21-11-14-23(15-12-21)16-13-21/h3-10,24H,11-16H2,1-2H3
InChIKeyBBVGUDOGEDZFTM-UHFFFAOYSA-N
XLogP3.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
CID 23992385
cyclopropyl-(4-fluorophenyl)-(4-methoxyphenyl)methanol
CID 154301932
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125167
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
CID 82045025
1-cyclopropyl-1-(6-methoxynaphthalen-2-yl)ethanol
CID 91658263
4-cyclopentyl-2-(4-methoxyphenyl)butan-2-ol
CID 114191696
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
1,1,1,3,3,3-hexadeuterio-2-(4-methoxyphenyl)propan-2-ol
CID 71313445
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-[1-(aminomethyl)-3-ethylcyclohexyl]-1-(4-methoxyphenyl)ethanol
CID 79125169
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol?
The IUPAC name of 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol (CID 68961638) is 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol is COc1ccc(C(O)(c2ccc(OC)cc2)C23CCN(CC2)CC3)cc1.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol?
The InChIKey is BBVGUDOGEDZFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-19-7-3-17(4-8-19)22(24,18-5-9-20(26-2)10-6-18)21-11-14-23(15-12-21)16-13-21/h3-10,24H,11-16H2,1-2H3.
What are the key properties of 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol?
1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol has a molecular weight of 353.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-4-yl-bis(4-methoxyphenyl)methanol is sourced from PubChem (CID 68961638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).