1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine

C10H23N2O2P — CID 146602182

IUPAC1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine
SMILESCC(C)COP(C)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H23N2O2P/c1-10(2)9-14-15(4,13)12-7-5-11(3)6-8-12/h10H,5-9H2,1-4H3
InChIKeyUUSIQTFNNGHTMY-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.73
Rot. Bonds4

About 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine

1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine (PubChem CID 146602182) has the molecular formula C10H23N2O2P and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine
PubChem CID146602182
Molecular FormulaC10H23N2O2P
Molecular Weight234.28 g/mol
Exact Mass234.15
IUPAC Name1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine
SMILESCC(C)COP(C)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H23N2O2P/c1-10(2)9-14-15(4,13)12-7-5-11(3)6-8-12/h10H,5-9H2,1-4H3
InChIKeyUUSIQTFNNGHTMY-UHFFFAOYSA-N
XLogP1.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.73
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-methylpiperazin-1-yl)phosphoryl]-N-methylmethanamine
CID 126613480
2-methylpropyl phosphate
CID 22629809
1-(2-dimethylphosphoryloxyethyl)-4-methylpiperazine
CID 58904413
1-[chloromethyl-(4-methylpiperazin-1-yl)phosphoryl]-4-methylpiperazine
CID 110186337
1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-methylpiperazine
CID 66678116
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
CID 158113780
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
CID 11862228
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine?
The IUPAC name of 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine (CID 146602182) is 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine.
What is the SMILES notation for 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine?
The canonical SMILES for 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine is CC(C)COP(C)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine?
The InChIKey is UUSIQTFNNGHTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O2P/c1-10(2)9-14-15(4,13)12-7-5-11(3)6-8-12/h10H,5-9H2,1-4H3.
What are the key properties of 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine?
1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine has a molecular weight of 234.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl(2-methylpropoxy)phosphoryl]piperazine is sourced from PubChem (CID 146602182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).