1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide

C11H16NO2P — CID 126640116

IUPAC1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide
SMILESO=P1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H16NO2P/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,14)
InChIKeyVTDYHDZZFLEFLG-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.77
Rot. Bonds2

About 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide

1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide (PubChem CID 126640116) has the molecular formula C11H16NO2P and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide
PubChem CID126640116
Molecular FormulaC11H16NO2P
Molecular Weight225.23 g/mol
Exact Mass225.09
IUPAC Name1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide
SMILESO=P1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C11H16NO2P/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,14)
InChIKeyVTDYHDZZFLEFLG-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
CID 67432951
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide
CID 169108614
1-benzylazepane
CID 10954328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
CID 3058098
1-benzylpyrrolidine;propane
CID 143692089
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-benzyl-4-methylpiperazine;formic acid
CID 54605116

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide?
The IUPAC name of 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide (CID 126640116) is 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide.
What is the SMILES notation for 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide?
The canonical SMILES for 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide is O=P1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide?
The InChIKey is VTDYHDZZFLEFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2P/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,14).
What are the key properties of 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide?
1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide has a molecular weight of 225.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide is sourced from PubChem (CID 126640116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).