1-benzyl-4-phenyl-1,4-azaphosphinane

C17H20NP — CID 91356669

IUPAC1-benzyl-4-phenyl-1,4-azaphosphinane
SMILESc1ccc(CN2CCP(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20NP/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyMSARVDBBTUWZON-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.31
Rot. Bonds3

About 1-benzyl-4-phenyl-1,4-azaphosphinane

1-benzyl-4-phenyl-1,4-azaphosphinane (PubChem CID 91356669) has the molecular formula C17H20NP and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-benzyl-4-phenyl-1,4-azaphosphinane.

Molecular Properties

Compound Name1-benzyl-4-phenyl-1,4-azaphosphinane
PubChem CID91356669
Molecular FormulaC17H20NP
Molecular Weight269.33 g/mol
Exact Mass269.13
IUPAC Name1-benzyl-4-phenyl-1,4-azaphosphinane
SMILESc1ccc(CN2CCP(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20NP/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyMSARVDBBTUWZON-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane
CID 91499848
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylazepane
CID 10954328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-(isocyanomethyl)-4-phenylpiperidine
CID 5115779
1,3,5-tribenzyl-7-phenyl-1,5,3,7-diazadiphosphocane
CID 3070050
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
azane;1-benzylpiperazine
CID 174866973
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
1-benzyl-4-methylpiperidin-4-ol
CID 10845913

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenyl-1,4-azaphosphinane?
The IUPAC name of 1-benzyl-4-phenyl-1,4-azaphosphinane (CID 91356669) is 1-benzyl-4-phenyl-1,4-azaphosphinane.
What is the SMILES notation for 1-benzyl-4-phenyl-1,4-azaphosphinane?
The canonical SMILES for 1-benzyl-4-phenyl-1,4-azaphosphinane is c1ccc(CN2CCP(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-phenyl-1,4-azaphosphinane?
The InChIKey is MSARVDBBTUWZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NP/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 1-benzyl-4-phenyl-1,4-azaphosphinane?
1-benzyl-4-phenyl-1,4-azaphosphinane has a molecular weight of 269.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenyl-1,4-azaphosphinane is sourced from PubChem (CID 91356669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).