(R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol

C21H25NO — CID 92856808

IUPAC(R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C21H25NO/c23-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-21,23H,3,8-9,14-15H2/t19-,20-,21-,22?/m1/s1
InChIKeyBVEXGQHOBZRFGZ-NJTYFVPYSA-N
MW307.44 g/mol
LogP4.48
Rot. Bonds4

About (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol

(R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol (PubChem CID 92856808) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol
PubChem CID92856808
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C21H25NO/c23-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-21,23H,3,8-9,14-15H2/t19-,20-,21-,22?/m1/s1
InChIKeyBVEXGQHOBZRFGZ-NJTYFVPYSA-N
XLogP4.48
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 94502427
(S)-cyclopentyl(phenyl)methanol
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(R)-cyclopentyl(phenyl)methanol
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4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 10335511
(R)-phenyl-[(2S,3R)-3-phenyl-1-prop-2-enylaziridin-2-yl]methanol
CID 122372363
1-cyclopentyl-4-[hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 82175955
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 102373671
(4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole
CID 131856837
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
(S)-[(1S,3R,4R)-2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl]-phenylmethanol
CID 10957333

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol (CID 92856808) is (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol is O[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1.
What is the InChIKey of (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol?
The InChIKey is BVEXGQHOBZRFGZ-NJTYFVPYSA-N. The full InChI is InChI=1S/C21H25NO/c23-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-21,23H,3,8-9,14-15H2/t19-,20-,21-,22?/m1/s1.
What are the key properties of (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol?
(R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol has a molecular weight of 307.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,3R)-1-cyclohexyl-3-phenylaziridin-2-yl]-phenylmethanol is sourced from PubChem (CID 92856808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).