4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine

C22H21BrN2O — CID 67033013

IUPAC4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine
SMILESBrc1ccc(C2CN(C(c3ccccc3)c3ccccc3)CCO2)nc1
InChIInChI=1S/C22H21BrN2O/c23-19-11-12-20(24-15-19)21-16-25(13-14-26-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,21-22H,13-14,16H2
InChIKeyGZSSLNPODRSCIO-UHFFFAOYSA-N
MW409.33 g/mol
LogP5.01
Rot. Bonds4

About 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine

4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine (PubChem CID 67033013) has the molecular formula C22H21BrN2O and a molecular weight of 409.33 g/mol. Its IUPAC name is 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine
PubChem CID67033013
Molecular FormulaC22H21BrN2O
Molecular Weight409.33 g/mol
Exact Mass408.08
IUPAC Name4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine
SMILESBrc1ccc(C2CN(C(c3ccccc3)c3ccccc3)CCO2)nc1
InChIInChI=1S/C22H21BrN2O/c23-19-11-12-20(24-15-19)21-16-25(13-14-26-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,21-22H,13-14,16H2
InChIKeyGZSSLNPODRSCIO-UHFFFAOYSA-N
XLogP5.01
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine?
The IUPAC name of 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine (CID 67033013) is 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine.
What is the SMILES notation for 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine?
The canonical SMILES for 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine is Brc1ccc(C2CN(C(c3ccccc3)c3ccccc3)CCO2)nc1.
What is the InChIKey of 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine?
The InChIKey is GZSSLNPODRSCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O/c23-19-11-12-20(24-15-19)21-16-25(13-14-26-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,21-22H,13-14,16H2.
What are the key properties of 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine?
4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine has a molecular weight of 409.33 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-2-(5-bromo-2-pyridinyl)morpholine is sourced from PubChem (CID 67033013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).