2-methyl-4-phosphanylpiperazine-2-carbaldehyde

C6H13N2OP — CID 22957210

IUPAC2-methyl-4-phosphanylpiperazine-2-carbaldehyde
SMILESCC1(C=O)CN(P)CCN1
InChIInChI=1S/C6H13N2OP/c1-6(5-9)4-8(10)3-2-7-6/h5,7H,2-4,10H2,1H3
InChIKeyRAHSWUCIZAAKML-UHFFFAOYSA-N
MW160.16 g/mol
LogP-0.36
Rot. Bonds1

About 2-methyl-4-phosphanylpiperazine-2-carbaldehyde

2-methyl-4-phosphanylpiperazine-2-carbaldehyde (PubChem CID 22957210) has the molecular formula C6H13N2OP and a molecular weight of 160.16 g/mol. Its IUPAC name is 2-methyl-4-phosphanylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-phosphanylpiperazine-2-carbaldehyde
PubChem CID22957210
Molecular FormulaC6H13N2OP
Molecular Weight160.16 g/mol
Exact Mass160.08
IUPAC Name2-methyl-4-phosphanylpiperazine-2-carbaldehyde
SMILESCC1(C=O)CN(P)CCN1
InChIInChI=1S/C6H13N2OP/c1-6(5-9)4-8(10)3-2-7-6/h5,7H,2-4,10H2,1H3
InChIKeyRAHSWUCIZAAKML-UHFFFAOYSA-N
XLogP-0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phosphanylpiperazine-2-carbaldehyde?
The IUPAC name of 2-methyl-4-phosphanylpiperazine-2-carbaldehyde (CID 22957210) is 2-methyl-4-phosphanylpiperazine-2-carbaldehyde.
What is the SMILES notation for 2-methyl-4-phosphanylpiperazine-2-carbaldehyde?
The canonical SMILES for 2-methyl-4-phosphanylpiperazine-2-carbaldehyde is CC1(C=O)CN(P)CCN1.
What is the InChIKey of 2-methyl-4-phosphanylpiperazine-2-carbaldehyde?
The InChIKey is RAHSWUCIZAAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2OP/c1-6(5-9)4-8(10)3-2-7-6/h5,7H,2-4,10H2,1H3.
What are the key properties of 2-methyl-4-phosphanylpiperazine-2-carbaldehyde?
2-methyl-4-phosphanylpiperazine-2-carbaldehyde has a molecular weight of 160.16 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phosphanylpiperazine-2-carbaldehyde is sourced from PubChem (CID 22957210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).