2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

C26H30FN4OP — CID 130439068

IUPAC2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCN1CCN(C(c2ccccc2F)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1
InChIInChI=1S/C26H30FN4OP/c1-28-16-18-29(19-17-28)26(24-14-8-9-15-25(24)27)33(32)30(22-10-4-2-5-11-22)20-21-31(33)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
InChIKeyULGXZFIZBVBMBO-UHFFFAOYSA-N
MW464.53 g/mol
LogP5.29
Rot. Bonds5

About 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide

2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 130439068) has the molecular formula C26H30FN4OP and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID130439068
Molecular FormulaC26H30FN4OP
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCN1CCN(C(c2ccccc2F)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1
InChIInChI=1S/C26H30FN4OP/c1-28-16-18-29(19-17-28)26(24-14-8-9-15-25(24)27)33(32)30(22-10-4-2-5-11-22)20-21-31(33)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
InChIKeyULGXZFIZBVBMBO-UHFFFAOYSA-N
XLogP5.29
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide (CID 130439068) is 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is CN1CCN(C(c2ccccc2F)P2(=O)N(c3ccccc3)CCN2c2ccccc2)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is ULGXZFIZBVBMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN4OP/c1-28-16-18-29(19-17-28)26(24-14-8-9-15-25(24)27)33(32)30(22-10-4-2-5-11-22)20-21-31(33)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide?
2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 464.53 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 130439068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).