dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane

C11H18N3P — CID 143709729

IUPACdimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane
SMILESCP(C)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C11H18N3P/c1-15(2)10-3-4-11(13-9-10)14-7-5-12-6-8-14/h3-4,9,12H,5-8H2,1-2H3
InChIKeyCCZIRZUXIPUZCX-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.86
Rot. Bonds2

About dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane

dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane (PubChem CID 143709729) has the molecular formula C11H18N3P and a molecular weight of 223.26 g/mol. Its IUPAC name is dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane.

Molecular Properties

Compound Namedimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane
PubChem CID143709729
Molecular FormulaC11H18N3P
Molecular Weight223.26 g/mol
Exact Mass223.12
IUPAC Namedimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane
SMILESCP(C)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C11H18N3P/c1-15(2)10-3-4-11(13-9-10)14-7-5-12-6-8-14/h3-4,9,12H,5-8H2,1-2H3
InChIKeyCCZIRZUXIPUZCX-UHFFFAOYSA-N
XLogP0.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane?
The IUPAC name of dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane (CID 143709729) is dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane.
What is the SMILES notation for dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane?
The canonical SMILES for dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane is CP(C)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane?
The InChIKey is CCZIRZUXIPUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3P/c1-15(2)10-3-4-11(13-9-10)14-7-5-12-6-8-14/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane?
dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane has a molecular weight of 223.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane is sourced from PubChem (CID 143709729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).