3-benzyl-3-azabicyclo[3.2.1]octan-8-ol

C14H19NO — CID 23159153

IUPAC3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1C2CCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2
InChIKeyQBGJTVIWVSLDFA-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.89
Rot. Bonds2

About 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol

3-benzyl-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 23159153) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID23159153
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESOC1C2CCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2
InChIKeyQBGJTVIWVSLDFA-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol (CID 23159153) is 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol is OC1C2CCC1CN(Cc1ccccc1)C2.
What is the InChIKey of 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is QBGJTVIWVSLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2.
What are the key properties of 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol?
3-benzyl-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 217.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 23159153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).