1-diphenylphosphoryl-4-ethylpiperazine

C18H23N2OP — CID 20795265

IUPAC1-diphenylphosphoryl-4-ethylpiperazine
SMILESCCN1CCN(P(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H23N2OP/c1-2-19-13-15-20(16-14-19)22(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChIKeyABOOZKDOEZWVQG-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.55
Rot. Bonds4

About 1-diphenylphosphoryl-4-ethylpiperazine

1-diphenylphosphoryl-4-ethylpiperazine (PubChem CID 20795265) has the molecular formula C18H23N2OP and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-diphenylphosphoryl-4-ethylpiperazine.

Molecular Properties

Compound Name1-diphenylphosphoryl-4-ethylpiperazine
PubChem CID20795265
Molecular FormulaC18H23N2OP
Molecular Weight314.37 g/mol
Exact Mass314.15
IUPAC Name1-diphenylphosphoryl-4-ethylpiperazine
SMILESCCN1CCN(P(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H23N2OP/c1-2-19-13-15-20(16-14-19)22(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChIKeyABOOZKDOEZWVQG-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.55
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-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
CID 144727735
1-(2-diphenylphosphorylethyl)-4-methylpiperazine
CID 785565
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropanal
CID 62278646
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-4-ethylpiperazine?
The IUPAC name of 1-diphenylphosphoryl-4-ethylpiperazine (CID 20795265) is 1-diphenylphosphoryl-4-ethylpiperazine.
What is the SMILES notation for 1-diphenylphosphoryl-4-ethylpiperazine?
The canonical SMILES for 1-diphenylphosphoryl-4-ethylpiperazine is CCN1CCN(P(=O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-diphenylphosphoryl-4-ethylpiperazine?
The InChIKey is ABOOZKDOEZWVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2OP/c1-2-19-13-15-20(16-14-19)22(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3.
What are the key properties of 1-diphenylphosphoryl-4-ethylpiperazine?
1-diphenylphosphoryl-4-ethylpiperazine has a molecular weight of 314.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-4-ethylpiperazine is sourced from PubChem (CID 20795265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).