8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol

C10H19NO2 — CID 106932829

IUPAC8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO2/c1-7(12)6-11-8-2-3-9(11)5-10(13)4-8/h7-10,12-13H,2-6H2,1H3/t7-,8?,9?,10?/m0/s1
InChIKeyZXWQBHONDLDLFW-KJTVYLTBSA-N
MW185.27 g/mol
LogP0.35
Rot. Bonds2

About 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 106932829) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID106932829
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO2/c1-7(12)6-11-8-2-3-9(11)5-10(13)4-8/h7-10,12-13H,2-6H2,1H3/t7-,8?,9?,10?/m0/s1
InChIKeyZXWQBHONDLDLFW-KJTVYLTBSA-N
XLogP0.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1S,5S)-8-[(2R)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 124873025
(1S,5S)-8-[(2S)-2-hydroxy-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 124873024
8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65015221
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769113
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N,N-di(propan-2-yl)acetamide
CID 63770493
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769257
4-hydroxy-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 79192626
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764292
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide
CID 63769780
8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114448981

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 106932829) is 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol is C[C@H](O)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZXWQBHONDLDLFW-KJTVYLTBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(12)6-11-8-2-3-9(11)5-10(13)4-8/h7-10,12-13H,2-6H2,1H3/t7-,8?,9?,10?/m0/s1.
What are the key properties of 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 185.27 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 106932829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).