(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane

C17H18N2 — CID 122467029

IUPAC(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane
SMILESc1ccc(C(c2ccccc2)N2CC3NC[C@H]32)cc1
InChIInChI=1S/C17H18N2/c1-3-7-13(8-4-1)17(14-9-5-2-6-10-14)19-12-15-16(19)11-18-15/h1-10,15-18H,11-12H2/t15?,16-/m1/s1
InChIKeyHPRWIMRSXJLHJI-OEMAIJDKSA-N
MW250.35 g/mol
LogP2.43
Rot. Bonds3

About (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane

(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane (PubChem CID 122467029) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane
PubChem CID122467029
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane
SMILESc1ccc(C(c2ccccc2)N2CC3NC[C@H]32)cc1
InChIInChI=1S/C17H18N2/c1-3-7-13(8-4-1)17(14-9-5-2-6-10-14)19-12-15-16(19)11-18-15/h1-10,15-18H,11-12H2/t15?,16-/m1/s1
InChIKeyHPRWIMRSXJLHJI-OEMAIJDKSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane?
The IUPAC name of (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane (CID 122467029) is (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane.
What is the SMILES notation for (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane?
The canonical SMILES for (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane is c1ccc(C(c2ccccc2)N2CC3NC[C@H]32)cc1.
What is the InChIKey of (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane?
The InChIKey is HPRWIMRSXJLHJI-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-7-13(8-4-1)17(14-9-5-2-6-10-14)19-12-15-16(19)11-18-15/h1-10,15-18H,11-12H2/t15?,16-/m1/s1.
What are the key properties of (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane?
(1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane has a molecular weight of 250.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-benzhydryl-2,5-diazabicyclo[2.2.0]hexane is sourced from PubChem (CID 122467029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).