1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol

C21H32N2O2 — CID 139299341

IUPAC1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol
SMILESOC(COC1CCCCC1)CN1CCC2CC1CN2c1ccccc1
InChIInChI=1S/C21H32N2O2/c24-20(16-25-21-9-5-2-6-10-21)15-22-12-11-18-13-19(22)14-23(18)17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2
InChIKeyLGBBACNVSBAWRM-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.05
Rot. Bonds6

About 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol

1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol (PubChem CID 139299341) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol
PubChem CID139299341
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol
SMILESOC(COC1CCCCC1)CN1CCC2CC1CN2c1ccccc1
InChIInChI=1S/C21H32N2O2/c24-20(16-25-21-9-5-2-6-10-21)15-22-12-11-18-13-19(22)14-23(18)17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2
InChIKeyLGBBACNVSBAWRM-UHFFFAOYSA-N
XLogP3.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol with MolForge

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Related Compounds

1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol
CID 138697001
(2S)-1-cyclohexyloxy-3-[(1R,5S)-3-phenyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-ol;hydrochloride
CID 134231072
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
CID 2930774
1-cyclohexyloxy-3-[(1R,5S)-3-(4-fluorophenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-ol
CID 138696265
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CID 95123927
1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44782587
(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
(2S)-1-cyclopentyloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 42588080
(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916
1-cyclohexyloxy-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol (CID 139299341) is 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol is OC(COC1CCCCC1)CN1CCC2CC1CN2c1ccccc1.
What is the InChIKey of 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol?
The InChIKey is LGBBACNVSBAWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-20(16-25-21-9-5-2-6-10-21)15-22-12-11-18-13-19(22)14-23(18)17-7-3-1-4-8-17/h1,3-4,7-8,18-21,24H,2,5-6,9-16H2.
What are the key properties of 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol?
1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol has a molecular weight of 344.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol is sourced from PubChem (CID 139299341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).