(1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol

C13H17NO — CID 15669537

IUPAC(1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2C[C@H]1N(Cc1ccccc1)C2
InChIInChI=1S/C13H17NO/c15-13-7-11-6-12(13)14(9-11)8-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13+/m0/s1
InChIKeyAVUAEJJTHLWQOS-YNEHKIRRSA-N
MW203.29 g/mol
LogP1.64
Rot. Bonds2

About (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol

(1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 15669537) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name(1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID15669537
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESO[C@@H]1C[C@@H]2C[C@H]1N(Cc1ccccc1)C2
InChIInChI=1S/C13H17NO/c15-13-7-11-6-12(13)14(9-11)8-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13+/m0/s1
InChIKeyAVUAEJJTHLWQOS-YNEHKIRRSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol (CID 15669537) is (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol is O[C@@H]1C[C@@H]2C[C@H]1N(Cc1ccccc1)C2.
What is the InChIKey of (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is AVUAEJJTHLWQOS-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-7-11-6-12(13)14(9-11)8-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13+/m0/s1.
What are the key properties of (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
(1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 203.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 15669537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).