(6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol

C14H19NO — CID 2802928

IUPAC(6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol
SMILESO[C@H]1CC2CCC1N(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c16-14-8-12-6-7-13(14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12?,13?,14-/m0/s1
InChIKeyLSQZRPLAUOVRPZ-RUXDESIVSA-N
MW217.31 g/mol
LogP2.03
Rot. Bonds2

About (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol

(6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol (PubChem CID 2802928) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol.

Molecular Properties

Compound Name(6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol
PubChem CID2802928
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol
SMILESO[C@H]1CC2CCC1N(Cc1ccccc1)C2
InChIInChI=1S/C14H19NO/c16-14-8-12-6-7-13(14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12?,13?,14-/m0/s1
InChIKeyLSQZRPLAUOVRPZ-RUXDESIVSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol?
The IUPAC name of (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol (CID 2802928) is (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol.
What is the SMILES notation for (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol?
The canonical SMILES for (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol is O[C@H]1CC2CCC1N(Cc1ccccc1)C2.
What is the InChIKey of (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol?
The InChIKey is LSQZRPLAUOVRPZ-RUXDESIVSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-8-12-6-7-13(14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12?,13?,14-/m0/s1.
What are the key properties of (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol?
(6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol has a molecular weight of 217.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-benzyl-2-azabicyclo[2.2.2]octan-6-ol is sourced from PubChem (CID 2802928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).