1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide

C14H22NOP — CID 67432951

IUPAC1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
SMILESCC(C)P1(=O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22NOP/c1-13(2)17(16)10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyHVFYDEMWIYPLFB-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.27
Rot. Bonds3

About 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide

1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide (PubChem CID 67432951) has the molecular formula C14H22NOP and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide.

Molecular Properties

Compound Name1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
PubChem CID67432951
Molecular FormulaC14H22NOP
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
SMILESCC(C)P1(=O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22NOP/c1-13(2)17(16)10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyHVFYDEMWIYPLFB-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide
CID 126640116
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-benzyl-4-(4-bromophenyl)-1,4λ5-azaphosphinane 4-oxide
CID 169108614
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831
1-benzylpyrrolidine;propane
CID 143692089
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzylazepane
CID 10954328
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
The IUPAC name of 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide (CID 67432951) is 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide.
What is the SMILES notation for 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
The canonical SMILES for 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide is CC(C)P1(=O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
The InChIKey is HVFYDEMWIYPLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NOP/c1-13(2)17(16)10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide?
1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide has a molecular weight of 251.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide is sourced from PubChem (CID 67432951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).