3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol

C23H29NO — CID 11404914

IUPAC3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol
SMILESCN1[C@H]2CC[C@H]1CC(CC(CO)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H29NO/c1-24-21-12-13-22(24)15-18(14-21)16-23(17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22,25H,12-17H2,1H3/t21-,22-/m0/s1
InChIKeyCHLSHLSJSIBNQZ-VXKWHMMOSA-N
MW335.49 g/mol
LogP4.23
Rot. Bonds5

About 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol

3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol (PubChem CID 11404914) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol
PubChem CID11404914
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol
SMILESCN1[C@H]2CC[C@H]1CC(CC(CO)(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H29NO/c1-24-21-12-13-22(24)15-18(14-21)16-23(17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22,25H,12-17H2,1H3/t21-,22-/m0/s1
InChIKeyCHLSHLSJSIBNQZ-VXKWHMMOSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol?
The IUPAC name of 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol (CID 11404914) is 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol.
What is the SMILES notation for 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol?
The canonical SMILES for 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol is CN1[C@H]2CC[C@H]1CC(CC(CO)(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol?
The InChIKey is CHLSHLSJSIBNQZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H29NO/c1-24-21-12-13-22(24)15-18(14-21)16-23(17-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22,25H,12-17H2,1H3/t21-,22-/m0/s1.
What are the key properties of 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol?
3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol has a molecular weight of 335.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol is sourced from PubChem (CID 11404914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).