aminomethyl(piperidin-1-ylmethyl)phosphinic acid

C7H17N2O2P — CID 3426377

IUPACaminomethyl(piperidin-1-ylmethyl)phosphinic acid
SMILESNCP(=O)(O)CN1CCCCC1
InChIInChI=1S/C7H17N2O2P/c8-6-12(10,11)7-9-4-2-1-3-5-9/h1-8H2,(H,10,11)
InChIKeyFHPRIZYSQZAGJE-UHFFFAOYSA-N
MW192.20 g/mol
LogP0.62
Rot. Bonds3

About aminomethyl(piperidin-1-ylmethyl)phosphinic acid

aminomethyl(piperidin-1-ylmethyl)phosphinic acid (PubChem CID 3426377) has the molecular formula C7H17N2O2P and a molecular weight of 192.20 g/mol. Its IUPAC name is aminomethyl(piperidin-1-ylmethyl)phosphinic acid.

Molecular Properties

Compound Nameaminomethyl(piperidin-1-ylmethyl)phosphinic acid
PubChem CID3426377
Molecular FormulaC7H17N2O2P
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Nameaminomethyl(piperidin-1-ylmethyl)phosphinic acid
SMILESNCP(=O)(O)CN1CCCCC1
InChIInChI=1S/C7H17N2O2P/c8-6-12(10,11)7-9-4-2-1-3-5-9/h1-8H2,(H,10,11)
InChIKeyFHPRIZYSQZAGJE-UHFFFAOYSA-N
XLogP0.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.62
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 aminomethyl(piperidin-1-ylmethyl)phosphinic acid?
The IUPAC name of aminomethyl(piperidin-1-ylmethyl)phosphinic acid (CID 3426377) is aminomethyl(piperidin-1-ylmethyl)phosphinic acid.
What is the SMILES notation for aminomethyl(piperidin-1-ylmethyl)phosphinic acid?
The canonical SMILES for aminomethyl(piperidin-1-ylmethyl)phosphinic acid is NCP(=O)(O)CN1CCCCC1.
What is the InChIKey of aminomethyl(piperidin-1-ylmethyl)phosphinic acid?
The InChIKey is FHPRIZYSQZAGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O2P/c8-6-12(10,11)7-9-4-2-1-3-5-9/h1-8H2,(H,10,11).
What are the key properties of aminomethyl(piperidin-1-ylmethyl)phosphinic acid?
aminomethyl(piperidin-1-ylmethyl)phosphinic acid has a molecular weight of 192.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(piperidin-1-ylmethyl)phosphinic acid is sourced from PubChem (CID 3426377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).