3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol

C29H33NO2 — CID 174188222

IUPAC3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)C(CC12CCN(CC1)CC2)OCc1ccccc1
InChIInChI=1S/C29H33NO2/c31-29(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27(32-23-24-10-4-1-5-11-24)22-28-16-19-30(20-17-28)21-18-28/h1-15,27,31H,16-23H2
InChIKeyAYNVZXISPALPEE-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.38
Rot. Bonds8

About 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol

3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol (PubChem CID 174188222) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol
PubChem CID174188222
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)C(CC12CCN(CC1)CC2)OCc1ccccc1
InChIInChI=1S/C29H33NO2/c31-29(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27(32-23-24-10-4-1-5-11-24)22-28-16-19-30(20-17-28)21-18-28/h1-15,27,31H,16-23H2
InChIKeyAYNVZXISPALPEE-UHFFFAOYSA-N
XLogP5.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-azabicyclo[2.2.2]octan-4-yl)-3,3-diphenyl-1-phenylmethoxypropan-2-ol
CID 134499833
1-phenylmethoxy-1-pyrrolidin-1-ylpropan-2-ol
CID 67938820
1,1,3-triphenyl-2-piperidin-1-ylpropan-1-ol
CID 23250666
1-[amino(phenylmethoxy)methyl]cyclopentane-1-carboxylic acid
CID 69222417
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
CID 3477128
2-phenylmethoxy-3-(2-phenylmethoxyethoxy)hexane-1,3,4,6-tetrol
CID 91208357
5,5,5-trichloro-4-phenylmethoxypentan-2-one
CID 23726238
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
CID 7023047
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol (CID 174188222) is 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol is OC(c1ccccc1)(c1ccccc1)C(CC12CCN(CC1)CC2)OCc1ccccc1.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol?
The InChIKey is AYNVZXISPALPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2/c31-29(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27(32-23-24-10-4-1-5-11-24)22-28-16-19-30(20-17-28)21-18-28/h1-15,27,31H,16-23H2.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol?
3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol has a molecular weight of 427.59 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-4-yl)-1,1-diphenyl-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 174188222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).