(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol

C10H19NO — CID 130595131

IUPAC(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
SMILESC[C@H](O)CN1CC2CCC1CC2
InChIInChI=1S/C10H19NO/c1-8(12)6-11-7-9-2-4-10(11)5-3-9/h8-10,12H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyCJHAYVNONHMLNM-IDKOKCKLSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds2

About (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol

(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol (PubChem CID 130595131) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
PubChem CID130595131
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
SMILESC[C@H](O)CN1CC2CCC1CC2
InChIInChI=1S/C10H19NO/c1-8(12)6-11-7-9-2-4-10(11)5-3-9/h8-10,12H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyCJHAYVNONHMLNM-IDKOKCKLSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol
CID 130860086
3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine
CID 130594961
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
2-propyl-2-azabicyclo[2.2.2]octane
CID 15173898
2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
CID 174261513
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoropropan-2-ol
CID 131005722
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
CID 63930034
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-bromopropan-2-ol
CID 112561422
2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
CID 129193409
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106932829
2-(3,3-dimethylbutyl)-2-azabicyclo[2.2.2]octane
CID 129231471

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol (CID 130595131) is (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol is C[C@H](O)CN1CC2CCC1CC2.
What is the InChIKey of (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol?
The InChIKey is CJHAYVNONHMLNM-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)6-11-7-9-2-4-10(11)5-3-9/h8-10,12H,2-7H2,1H3/t8-,9?,10?/m0/s1.
What are the key properties of (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol?
(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol is sourced from PubChem (CID 130595131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).