1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine

C9H21N2O2P — CID 58904413

IUPAC1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine
SMILESCN1CCN(CCOP(C)(C)=O)CC1
InChIInChI=1S/C9H21N2O2P/c1-10-4-6-11(7-5-10)8-9-13-14(2,3)12/h4-9H2,1-3H3
InChIKeyDZZAMDAWURKXTO-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.79
Rot. Bonds4

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

1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine (PubChem CID 58904413) has the molecular formula C9H21N2O2P and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine
PubChem CID58904413
Molecular FormulaC9H21N2O2P
Molecular Weight220.25 g/mol
Exact Mass220.13
IUPAC Name1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine
SMILESCN1CCN(CCOP(C)(C)=O)CC1
InChIInChI=1S/C9H21N2O2P/c1-10-4-6-11(7-5-10)8-9-13-14(2,3)12/h4-9H2,1-3H3
InChIKeyDZZAMDAWURKXTO-UHFFFAOYSA-N
XLogP0.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine?
The IUPAC name of 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine (CID 58904413) is 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine is CN1CCN(CCOP(C)(C)=O)CC1.
What is the InChIKey of 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine?
The InChIKey is DZZAMDAWURKXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O2P/c1-10-4-6-11(7-5-10)8-9-13-14(2,3)12/h4-9H2,1-3H3.
What are the key properties of 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine?
1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine has a molecular weight of 220.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine is sourced from PubChem (CID 58904413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).