1-(2-diphenylphosphorylethyl)-4-methylpiperazine

C19H25N2OP — CID 785565

IUPAC1-(2-diphenylphosphorylethyl)-4-methylpiperazine
SMILESCN1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H25N2OP/c1-20-12-14-21(15-13-20)16-17-23(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3
InChIKeyVOPFQJOEZVZZEQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.25
Rot. Bonds5

About 1-(2-diphenylphosphorylethyl)-4-methylpiperazine

1-(2-diphenylphosphorylethyl)-4-methylpiperazine (PubChem CID 785565) has the molecular formula C19H25N2OP and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(2-diphenylphosphorylethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-diphenylphosphorylethyl)-4-methylpiperazine
PubChem CID785565
Molecular FormulaC19H25N2OP
Molecular Weight328.40 g/mol
Exact Mass328.17
IUPAC Name1-(2-diphenylphosphorylethyl)-4-methylpiperazine
SMILESCN1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H25N2OP/c1-20-12-14-21(15-13-20)16-17-23(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3
InChIKeyVOPFQJOEZVZZEQ-UHFFFAOYSA-N
XLogP2.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-diphenylphosphorylethyl)-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-bis(2-diphenylphosphorylethyl)-1,5-diazocane
CID 12983468
1-(2-diphenylphosphorylethyl)imidazole
CID 19358917
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
1-diphenylphosphoryl-4-ethylpiperazine
CID 20795265
2-diphenylphosphorylethyl-dimethoxy-methylsilane
CID 13356480
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-benzyl-4-methylpiperazine;formic acid
CID 54605116

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphorylethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-diphenylphosphorylethyl)-4-methylpiperazine (CID 785565) is 1-(2-diphenylphosphorylethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-diphenylphosphorylethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-diphenylphosphorylethyl)-4-methylpiperazine is CN1CCN(CCP(=O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-diphenylphosphorylethyl)-4-methylpiperazine?
The InChIKey is VOPFQJOEZVZZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2OP/c1-20-12-14-21(15-13-20)16-17-23(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3.
What are the key properties of 1-(2-diphenylphosphorylethyl)-4-methylpiperazine?
1-(2-diphenylphosphorylethyl)-4-methylpiperazine has a molecular weight of 328.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphorylethyl)-4-methylpiperazine is sourced from PubChem (CID 785565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).