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

C13H17NO — CID 15669538

IUPAC(1R,4S,6S)-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-XQQFMLRXSA-N
MW203.29 g/mol
LogP1.64
Rot. Bonds2

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

(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 15669538) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID15669538
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1R,4S,6S)-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-XQQFMLRXSA-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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Related Compounds

6-benzyl-6-azabicyclo[3.2.1]octan-4-ol
CID 57485770
2-[(1S,4R,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-yl]isoindole-1,3-dione
CID 58078531
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
2-benzyl-2-azabicyclo[2.1.1]hexan-5-amine
CID 130023473
(1R,4R,5R)-2-benzyl-5-iodo-2-azabicyclo[2.1.1]hexane
CID 44519577
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
3,6-dibenzyl-3,6-diazabicyclo[3.2.0]heptane
CID 134073287
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(3R,5S)-1-benzyl-5-[(5R)-2-benzyl-1,2-oxazolidin-5-yl]pyrrolidin-3-ol
CID 139743860
(6R,6aS)-4-benzyl-6-hydroxy-3a,5,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
CID 134859484

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of (1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol (CID 15669538) is (1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for (1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for (1R,4S,6S)-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,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is AVUAEJJTHLWQOS-XQQFMLRXSA-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,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol?
(1R,4S,6S)-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,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 15669538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).