bis(piperidin-1-ylmethyl)phosphinic acid

C12H25N2O2P — CID 744993

IUPACbis(piperidin-1-ylmethyl)phosphinic acid
SMILESO=P(O)(CN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C12H25N2O2P/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-12H2,(H,15,16)
InChIKeyJXXMHQSIFPYJOB-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.14
Rot. Bonds4

About bis(piperidin-1-ylmethyl)phosphinic acid

bis(piperidin-1-ylmethyl)phosphinic acid (PubChem CID 744993) has the molecular formula C12H25N2O2P and a molecular weight of 260.32 g/mol. Its IUPAC name is bis(piperidin-1-ylmethyl)phosphinic acid.

Molecular Properties

Compound Namebis(piperidin-1-ylmethyl)phosphinic acid
PubChem CID744993
Molecular FormulaC12H25N2O2P
Molecular Weight260.32 g/mol
Exact Mass260.17
IUPAC Namebis(piperidin-1-ylmethyl)phosphinic acid
SMILESO=P(O)(CN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C12H25N2O2P/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-12H2,(H,15,16)
InChIKeyJXXMHQSIFPYJOB-UHFFFAOYSA-N
XLogP2.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.14
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 bis(piperidin-1-ylmethyl)phosphinic acid?
The IUPAC name of bis(piperidin-1-ylmethyl)phosphinic acid (CID 744993) is bis(piperidin-1-ylmethyl)phosphinic acid.
What is the SMILES notation for bis(piperidin-1-ylmethyl)phosphinic acid?
The canonical SMILES for bis(piperidin-1-ylmethyl)phosphinic acid is O=P(O)(CN1CCCCC1)CN1CCCCC1.
What is the InChIKey of bis(piperidin-1-ylmethyl)phosphinic acid?
The InChIKey is JXXMHQSIFPYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O2P/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-12H2,(H,15,16).
What are the key properties of bis(piperidin-1-ylmethyl)phosphinic acid?
bis(piperidin-1-ylmethyl)phosphinic acid has a molecular weight of 260.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(piperidin-1-ylmethyl)phosphinic acid is sourced from PubChem (CID 744993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).