[(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol

C28H25NO — CID 11728896

IUPAC[(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO/c30-28(24-17-9-3-10-18-24,25-19-11-4-12-20-25)26-21-29(26)27(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20,26-27,30H,21H2/t26-,29?/m1/s1
InChIKeyBFJWAHRXURJNNA-QZWVJJBASA-N
MW391.51 g/mol
LogP5.40
Rot. Bonds6

About [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol

[(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol (PubChem CID 11728896) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol
PubChem CID11728896
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Name[(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H]1CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H25NO/c30-28(24-17-9-3-10-18-24,25-19-11-4-12-20-25)26-21-29(26)27(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20,26-27,30H,21H2/t26-,29?/m1/s1
InChIKeyBFJWAHRXURJNNA-QZWVJJBASA-N
XLogP5.40
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.40
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

8-(Bis(2-methylphenyl)methyl)-3-phenyl-8-azabicyclo(3.2.1)octan-3-ol
CID 9887077
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CID 3021339
4-Phenyl-1-(phenylmethyl)-4-piperidinol
CID 97333
1-(1-Phenylcyclohexyl)-4-phenyl-4-piperidinol
CID 131754
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
1-(Dio-tolylmethyl)-4-phenylpiperidin-4-ol
CID 9820782
4-Phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
CID 9863568
1-Benzhydryl-4-p-tolylpiperidin-4-ol
CID 9924923
4-Phenyl-1-(1-phenylethyl)piperidin-4-ol
CID 9925737
1-Benzhydryl-4-phenylpiperidin-4-ol
CID 10269001
1-Benzhydryl-4-o-tolylpiperidin-4-ol
CID 20481138
4-Phenyl-1-(1-phenylpropyl)piperidin-4-ol
CID 44426806

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol?
The IUPAC name of [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol (CID 11728896) is [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@H]1CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol?
The InChIKey is BFJWAHRXURJNNA-QZWVJJBASA-N. The full InChI is InChI=1S/C28H25NO/c30-28(24-17-9-3-10-18-24,25-19-11-4-12-20-25)26-21-29(26)27(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20,26-27,30H,21H2/t26-,29?/m1/s1.
What are the key properties of [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol?
[(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol has a molecular weight of 391.51 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzhydrylaziridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 11728896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).