1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol

C11H19NO — CID 130667681

IUPAC1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol
SMILESCC(O)CN1CC2C3CCC(C3)C21
InChIInChI=1S/C11H19NO/c1-7(13)5-12-6-10-8-2-3-9(4-8)11(10)12/h7-11,13H,2-6H2,1H3
InChIKeyFEJGDBPUNGKGLY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol

1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol (PubChem CID 130667681) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol
PubChem CID130667681
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol
SMILESCC(O)CN1CC2C3CCC(C3)C21
InChIInChI=1S/C11H19NO/c1-7(13)5-12-6-10-8-2-3-9(4-8)11(10)12/h7-11,13H,2-6H2,1H3
InChIKeyFEJGDBPUNGKGLY-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-but-2-ynyl-3-azatricyclo[4.2.1.02,5]nonane
CID 130683727
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
1-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-bromopropan-2-ol
CID 131067162
(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
CID 130595131
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
CID 129461084
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880091
2-amino-1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)ethanone
CID 130701739
1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol
CID 131165895
1-(2-methyl-4-piperidin-4-ylpiperidin-1-yl)propan-2-ol
CID 69105841

Frequently Asked Questions

What is the IUPAC name of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
The IUPAC name of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol (CID 130667681) is 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
The canonical SMILES for 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol is CC(O)CN1CC2C3CCC(C3)C21.
What is the InChIKey of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
The InChIKey is FEJGDBPUNGKGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(13)5-12-6-10-8-2-3-9(4-8)11(10)12/h7-11,13H,2-6H2,1H3.
What are the key properties of 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol?
1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol has a molecular weight of 181.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azatricyclo[4.2.1.02,5]nonan-3-yl)propan-2-ol is sourced from PubChem (CID 130667681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).