piperidin-1-yl dihydrogen phosphate

C5H12NO4P — CID 21163898

IUPACpiperidin-1-yl dihydrogen phosphate
SMILESO=P(O)(O)ON1CCCCC1
InChIInChI=1S/C5H12NO4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H2,(H2,7,8,9)
InChIKeyWKNDBJMYXHMSER-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.50
Rot. Bonds2

About piperidin-1-yl dihydrogen phosphate

piperidin-1-yl dihydrogen phosphate (PubChem CID 21163898) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is piperidin-1-yl dihydrogen phosphate.

Molecular Properties

Compound Namepiperidin-1-yl dihydrogen phosphate
PubChem CID21163898
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Namepiperidin-1-yl dihydrogen phosphate
SMILESO=P(O)(O)ON1CCCCC1
InChIInChI=1S/C5H12NO4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H2,(H2,7,8,9)
InChIKeyWKNDBJMYXHMSER-UHFFFAOYSA-N
XLogP0.50
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.50
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 piperidin-1-yl dihydrogen phosphate?
The IUPAC name of piperidin-1-yl dihydrogen phosphate (CID 21163898) is piperidin-1-yl dihydrogen phosphate.
What is the SMILES notation for piperidin-1-yl dihydrogen phosphate?
The canonical SMILES for piperidin-1-yl dihydrogen phosphate is O=P(O)(O)ON1CCCCC1.
What is the InChIKey of piperidin-1-yl dihydrogen phosphate?
The InChIKey is WKNDBJMYXHMSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H2,(H2,7,8,9).
What are the key properties of piperidin-1-yl dihydrogen phosphate?
piperidin-1-yl dihydrogen phosphate has a molecular weight of 181.13 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl dihydrogen phosphate is sourced from PubChem (CID 21163898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).