methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid

C8H19N2O2P — CID 133064877

IUPACmethylaminomethyl(piperidin-1-ylmethyl)phosphinic acid
SMILESCNCP(=O)(O)CN1CCCCC1
InChIInChI=1S/C8H19N2O2P/c1-9-7-13(11,12)8-10-5-3-2-4-6-10/h9H,2-8H2,1H3,(H,11,12)
InChIKeyIGDSSRCJXDCPIS-UHFFFAOYSA-N
MW206.23 g/mol
LogP0.88
Rot. Bonds4

About methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid

methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid (PubChem CID 133064877) has the molecular formula C8H19N2O2P and a molecular weight of 206.23 g/mol. Its IUPAC name is methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid.

Molecular Properties

Compound Namemethylaminomethyl(piperidin-1-ylmethyl)phosphinic acid
PubChem CID133064877
Molecular FormulaC8H19N2O2P
Molecular Weight206.23 g/mol
Exact Mass206.12
IUPAC Namemethylaminomethyl(piperidin-1-ylmethyl)phosphinic acid
SMILESCNCP(=O)(O)CN1CCCCC1
InChIInChI=1S/C8H19N2O2P/c1-9-7-13(11,12)8-10-5-3-2-4-6-10/h9H,2-8H2,1H3,(H,11,12)
InChIKeyIGDSSRCJXDCPIS-UHFFFAOYSA-N
XLogP0.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 50.88
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 methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid?
The IUPAC name of methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid (CID 133064877) is methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid.
What is the SMILES notation for methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid?
The canonical SMILES for methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid is CNCP(=O)(O)CN1CCCCC1.
What is the InChIKey of methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid?
The InChIKey is IGDSSRCJXDCPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O2P/c1-9-7-13(11,12)8-10-5-3-2-4-6-10/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid?
methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid has a molecular weight of 206.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethyl(piperidin-1-ylmethyl)phosphinic acid is sourced from PubChem (CID 133064877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).