1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine

C12H17Cl2N2O2P — CID 13407938

IUPAC1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine
SMILESCCOP(=O)(Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C12H17Cl2N2O2P/c1-2-18-19(14,17)16-9-7-15(8-10-16)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3
InChIKeyNDAACAPTTTUDTI-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.85
Rot. Bonds4

About 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine

1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine (PubChem CID 13407938) has the molecular formula C12H17Cl2N2O2P and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine
PubChem CID13407938
Molecular FormulaC12H17Cl2N2O2P
Molecular Weight323.16 g/mol
Exact Mass322.04
IUPAC Name1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine
SMILESCCOP(=O)(Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C12H17Cl2N2O2P/c1-2-18-19(14,17)16-9-7-15(8-10-16)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3
InChIKeyNDAACAPTTTUDTI-UHFFFAOYSA-N
XLogP3.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine (CID 13407938) is 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine is CCOP(=O)(Cl)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine?
The InChIKey is NDAACAPTTTUDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N2O2P/c1-2-18-19(14,17)16-9-7-15(8-10-16)12-6-4-3-5-11(12)13/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine?
1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine has a molecular weight of 323.16 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(ethoxy)phosphoryl]-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 13407938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).