1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol

C20H30N2O2 — CID 138697001

IUPAC1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol
SMILESOC(COC1CCCCC1)CN1C[C@@H]2C[C@H]1CN2c1ccccc1
InChIInChI=1S/C20H30N2O2/c23-19(15-24-20-9-5-2-6-10-20)14-21-12-18-11-17(21)13-22(18)16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t17-,18-,19?/m0/s1
InChIKeyNZRCDBCTLGGTCH-ADUPEVMXSA-N
MW330.47 g/mol
LogP2.66
Rot. Bonds6

About 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol

1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol (PubChem CID 138697001) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol
PubChem CID138697001
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol
SMILESOC(COC1CCCCC1)CN1C[C@@H]2C[C@H]1CN2c1ccccc1
InChIInChI=1S/C20H30N2O2/c23-19(15-24-20-9-5-2-6-10-20)14-21-12-18-11-17(21)13-22(18)16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t17-,18-,19?/m0/s1
InChIKeyNZRCDBCTLGGTCH-ADUPEVMXSA-N
XLogP2.66
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyloxy-3-(6-phenyl-2,6-diazabicyclo[3.2.1]octan-2-yl)propan-2-ol
CID 139299341
(2S)-1-cyclohexyloxy-3-[(1R,5S)-3-phenyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-ol;hydrochloride
CID 134231072
[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
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
(2R)-1-cyclohexyloxy-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 95123927
1-cyclohexyloxy-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide
CID 2885588
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
(2S)-1-cyclohexyloxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 696962
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol (CID 138697001) is 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol is OC(COC1CCCCC1)CN1C[C@@H]2C[C@H]1CN2c1ccccc1.
What is the InChIKey of 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
The InChIKey is NZRCDBCTLGGTCH-ADUPEVMXSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19(15-24-20-9-5-2-6-10-20)14-21-12-18-11-17(21)13-22(18)16-7-3-1-4-8-16/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2/t17-,18-,19?/m0/s1.
What are the key properties of 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol?
1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol has a molecular weight of 330.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-2-ol is sourced from PubChem (CID 138697001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).