8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol

C13H17NO2 — CID 123421976

IUPAC8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(c3ccccc3)(C1)N2O
InChIInChI=1S/C13H17NO2/c15-12-8-11-6-7-13(9-12,14(11)16)10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2
InChIKeyBDXAPFATOSEMHQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.89
Rot. Bonds1

About 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol

8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 123421976) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID123421976
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(c3ccccc3)(C1)N2O
InChIInChI=1S/C13H17NO2/c15-12-8-11-6-7-13(9-12,14(11)16)10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2
InChIKeyBDXAPFATOSEMHQ-UHFFFAOYSA-N
XLogP1.89
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol (CID 123421976) is 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(c3ccccc3)(C1)N2O.
What is the InChIKey of 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BDXAPFATOSEMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-8-11-6-7-13(9-12,14(11)16)10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2.
What are the key properties of 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 219.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 123421976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).