(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol

C14H19NO — CID 10751259

IUPAC(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESO[C@@H]1CC[C@@H]2CC[C@H]1N2Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-14-9-7-12-6-8-13(14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+/m0/s1
InChIKeyFHKHUCUXDIOPGQ-BFHYXJOUSA-N
MW217.31 g/mol
LogP2.17
Rot. Bonds2

About (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol

(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol (PubChem CID 10751259) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
PubChem CID10751259
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESO[C@@H]1CC[C@@H]2CC[C@H]1N2Cc1ccccc1
InChIInChI=1S/C14H19NO/c16-14-9-7-12-6-8-13(14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+/m0/s1
InChIKeyFHKHUCUXDIOPGQ-BFHYXJOUSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
CID 178126007
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066
[(1R,2S,5S)-8-benzyl-3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-2-yl]methanol
CID 166484553
8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
CID 130054429
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
[(1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 164554356
(1R,3S,6R,8S)-2-benzyl-2,7-diazatricyclo[4.4.0.03,8]decane
CID 124677901
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol (CID 10751259) is (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol is O[C@@H]1CC[C@@H]2CC[C@H]1N2Cc1ccccc1.
What is the InChIKey of (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is FHKHUCUXDIOPGQ-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-9-7-12-6-8-13(14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+/m0/s1.
What are the key properties of (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 10751259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).