(1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol

C23H35NO — CID 10882403

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H]3[C@@H](c4ccccc4)C[C@]3(C)C2)[C@H](O)C1
InChIInChI=1S/C23H35NO/c1-16-10-11-19(21(25)12-16)22(2,3)24-14-20-18(13-23(20,4)15-24)17-8-6-5-7-9-17/h5-9,16,18-21,25H,10-15H2,1-4H3/t16-,18-,19-,20-,21-,23-/m1/s1
InChIKeyNYXAUMZLQREJRO-AGZOZPPWSA-N
MW341.54 g/mol
LogP4.69
Rot. Bonds3

About (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 10882403) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID10882403
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H]3[C@@H](c4ccccc4)C[C@]3(C)C2)[C@H](O)C1
InChIInChI=1S/C23H35NO/c1-16-10-11-19(21(25)12-16)22(2,3)24-14-20-18(13-23(20,4)15-24)17-8-6-5-7-9-17/h5-9,16,18-21,25H,10-15H2,1-4H3/t16-,18-,19-,20-,21-,23-/m1/s1
InChIKeyNYXAUMZLQREJRO-AGZOZPPWSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

(1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 102272061
(3R,4S)-4-ethenyl-1-[2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]propan-2-yl]-3-phenylpyrrolidin-3-ol
CID 11002429
(1R,2S,5R)-2-[2-[(3aS,9aS)-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10871151
(1R,2S,5R)-5-methyl-2-[2-[(2S,6R,11S)-2-phenyl-11-phenylselanyl-1-oxa-4-azaspiro[5.5]undecan-4-yl]propan-2-yl]cyclohexan-1-ol
CID 11991613
(1R,2S,5R)-2-[2-[(3aR,4R,9aR)-4-phenyl-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11101515
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
(1R,2S,5R)-2-[2-[(1R,8S,11R)-11-(2-methoxyphenyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 12015506
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
(1R,2S,5R)-5-methyl-2-[2-[(2S)-2-methylmorpholin-4-yl]propan-2-yl]cyclohexan-1-ol
CID 11990928
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CID 86756445
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol (CID 10882403) is (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H]3[C@@H](c4ccccc4)C[C@]3(C)C2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is NYXAUMZLQREJRO-AGZOZPPWSA-N. The full InChI is InChI=1S/C23H35NO/c1-16-10-11-19(21(25)12-16)22(2,3)24-14-20-18(13-23(20,4)15-24)17-8-6-5-7-9-17/h5-9,16,18-21,25H,10-15H2,1-4H3/t16-,18-,19-,20-,21-,23-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 341.54 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10882403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).