8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol

C16H23NO — CID 175636602

IUPAC8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol
SMILESCC(C)(c1ccccc1)N1C2CCCC1C(O)C2
InChIInChI=1S/C16H23NO/c1-16(2,12-7-4-3-5-8-12)17-13-9-6-10-14(17)15(18)11-13/h3-5,7-8,13-15,18H,6,9-11H2,1-2H3
InChIKeyGQCJFGPSAHLBSO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.91
Rot. Bonds2

About 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol

8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol (PubChem CID 175636602) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol
PubChem CID175636602
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol
SMILESCC(C)(c1ccccc1)N1C2CCCC1C(O)C2
InChIInChI=1S/C16H23NO/c1-16(2,12-7-4-3-5-8-12)17-13-9-6-10-14(17)15(18)11-13/h3-5,7-8,13-15,18H,6,9-11H2,1-2H3
InChIKeyGQCJFGPSAHLBSO-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol?
The IUPAC name of 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol (CID 175636602) is 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol is CC(C)(c1ccccc1)N1C2CCCC1C(O)C2.
What is the InChIKey of 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol?
The InChIKey is GQCJFGPSAHLBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2,12-7-4-3-5-8-12)17-13-9-6-10-14(17)15(18)11-13/h3-5,7-8,13-15,18H,6,9-11H2,1-2H3.
What are the key properties of 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol?
8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 245.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylpropan-2-yl)-8-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 175636602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).