N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine

C9H22N3O2P — CID 126613480

IUPACN-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
SMILESCCOP(=O)(N(C)C)N1CCN(C)CC1
InChIInChI=1S/C9H22N3O2P/c1-5-14-15(13,10(2)3)12-8-6-11(4)7-9-12/h5-9H2,1-4H3
InChIKeyQVSBMTZPOBSHDG-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.94
Rot. Bonds4

About N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine

N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine (PubChem CID 126613480) has the molecular formula C9H22N3O2P and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
PubChem CID126613480
Molecular FormulaC9H22N3O2P
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC NameN-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
SMILESCCOP(=O)(N(C)C)N1CCN(C)CC1
InChIInChI=1S/C9H22N3O2P/c1-5-14-15(13,10(2)3)12-8-6-11(4)7-9-12/h5-9H2,1-4H3
InChIKeyQVSBMTZPOBSHDG-UHFFFAOYSA-N
XLogP0.94
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[ethoxy-(4-propan-2-ylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
CID 126677693
[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite
CID 142572309
1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine
CID 146602182
1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine
CID 110186337
1-diethoxyphosphorylpyrrolidine
CID 10750826
1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-methylpiperazine
CID 66678116
1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one
CID 155101173
N-[[2-(methoxymethyl)morpholin-4-yl]-[(4-methylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 10383294
N-[1,3-bis(diethoxyphosphoryl)butyl]-4-methylpiperazin-1-amine
CID 135009834
1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine
CID 58904413
ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S)-4,6-dimethylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 155701015
dimethylamino(ethoxy)phosphinate;tetramethylazanium
CID 22756504

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine (CID 126613480) is N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine is CCOP(=O)(N(C)C)N1CCN(C)CC1.
What is the InChIKey of N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
The InChIKey is QVSBMTZPOBSHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N3O2P/c1-5-14-15(13,10(2)3)12-8-6-11(4)7-9-12/h5-9H2,1-4H3.
What are the key properties of N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine?
N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine has a molecular weight of 235.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy-(4-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 126613480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).