chloro(piperidin-1-yl)phosphinic acid

C5H11ClNO2P — CID 88731525

IUPACchloro(piperidin-1-yl)phosphinic acid
SMILESO=P(O)(Cl)N1CCCCC1
InChIInChI=1S/C5H11ClNO2P/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)
InChIKeyLOLQFEYLCKOQBY-UHFFFAOYSA-N
MW183.57 g/mol
LogP1.81
Rot. Bonds1

About chloro(piperidin-1-yl)phosphinic acid

chloro(piperidin-1-yl)phosphinic acid (PubChem CID 88731525) has the molecular formula C5H11ClNO2P and a molecular weight of 183.57 g/mol. Its IUPAC name is chloro(piperidin-1-yl)phosphinic acid.

Molecular Properties

Compound Namechloro(piperidin-1-yl)phosphinic acid
PubChem CID88731525
Molecular FormulaC5H11ClNO2P
Molecular Weight183.57 g/mol
Exact Mass183.02
IUPAC Namechloro(piperidin-1-yl)phosphinic acid
SMILESO=P(O)(Cl)N1CCCCC1
InChIInChI=1S/C5H11ClNO2P/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)
InChIKeyLOLQFEYLCKOQBY-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.57
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(piperidin-1-yl)phosphinic acid?
The IUPAC name of chloro(piperidin-1-yl)phosphinic acid (CID 88731525) is chloro(piperidin-1-yl)phosphinic acid.
What is the SMILES notation for chloro(piperidin-1-yl)phosphinic acid?
The canonical SMILES for chloro(piperidin-1-yl)phosphinic acid is O=P(O)(Cl)N1CCCCC1.
What is the InChIKey of chloro(piperidin-1-yl)phosphinic acid?
The InChIKey is LOLQFEYLCKOQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClNO2P/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H,8,9).
What are the key properties of chloro(piperidin-1-yl)phosphinic acid?
chloro(piperidin-1-yl)phosphinic acid has a molecular weight of 183.57 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(piperidin-1-yl)phosphinic acid is sourced from PubChem (CID 88731525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).