N-phosphanylpiperazin-1-amine

C4H12N3P — CID 143891400

IUPACN-phosphanylpiperazin-1-amine
SMILESPNN1CCNCC1
InChIInChI=1S/C4H12N3P/c8-6-7-3-1-5-2-4-7/h5-6H,1-4,8H2
InChIKeyXUNYDWLIOQMQRN-UHFFFAOYSA-N
MW133.13 g/mol
LogP-0.81
Rot. Bonds1

About N-phosphanylpiperazin-1-amine

N-phosphanylpiperazin-1-amine (PubChem CID 143891400) has the molecular formula C4H12N3P and a molecular weight of 133.13 g/mol. Its IUPAC name is N-phosphanylpiperazin-1-amine.

Molecular Properties

Compound NameN-phosphanylpiperazin-1-amine
PubChem CID143891400
Molecular FormulaC4H12N3P
Molecular Weight133.13 g/mol
Exact Mass133.08
IUPAC NameN-phosphanylpiperazin-1-amine
SMILESPNN1CCNCC1
InChIInChI=1S/C4H12N3P/c8-6-7-3-1-5-2-4-7/h5-6H,1-4,8H2
InChIKeyXUNYDWLIOQMQRN-UHFFFAOYSA-N
XLogP-0.81
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
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 N-phosphanylpiperazin-1-amine?
The IUPAC name of N-phosphanylpiperazin-1-amine (CID 143891400) is N-phosphanylpiperazin-1-amine.
What is the SMILES notation for N-phosphanylpiperazin-1-amine?
The canonical SMILES for N-phosphanylpiperazin-1-amine is PNN1CCNCC1.
What is the InChIKey of N-phosphanylpiperazin-1-amine?
The InChIKey is XUNYDWLIOQMQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N3P/c8-6-7-3-1-5-2-4-7/h5-6H,1-4,8H2.
What are the key properties of N-phosphanylpiperazin-1-amine?
N-phosphanylpiperazin-1-amine has a molecular weight of 133.13 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phosphanylpiperazin-1-amine is sourced from PubChem (CID 143891400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).