phosphono piperidin-1-yl hydrogen phosphate

C5H13NO7P2 — CID 87216699

IUPACphosphono piperidin-1-yl hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)ON1CCCCC1
InChIInChI=1S/C5H13NO7P2/c7-14(8,9)13-15(10,11)12-6-4-2-1-3-5-6/h1-5H2,(H,10,11)(H2,7,8,9)
InChIKeyMSRFNBLQIMAFEI-UHFFFAOYSA-N
MW261.11 g/mol
LogP0.61
Rot. Bonds4

About phosphono piperidin-1-yl hydrogen phosphate

phosphono piperidin-1-yl hydrogen phosphate (PubChem CID 87216699) has the molecular formula C5H13NO7P2 and a molecular weight of 261.11 g/mol. Its IUPAC name is phosphono piperidin-1-yl hydrogen phosphate.

Molecular Properties

Compound Namephosphono piperidin-1-yl hydrogen phosphate
PubChem CID87216699
Molecular FormulaC5H13NO7P2
Molecular Weight261.11 g/mol
Exact Mass261.02
IUPAC Namephosphono piperidin-1-yl hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)ON1CCCCC1
InChIInChI=1S/C5H13NO7P2/c7-14(8,9)13-15(10,11)12-6-4-2-1-3-5-6/h1-5H2,(H,10,11)(H2,7,8,9)
InChIKeyMSRFNBLQIMAFEI-UHFFFAOYSA-N
XLogP0.61
TPSA116.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphono piperidin-1-yl hydrogen phosphate?
The IUPAC name of phosphono piperidin-1-yl hydrogen phosphate (CID 87216699) is phosphono piperidin-1-yl hydrogen phosphate.
What is the SMILES notation for phosphono piperidin-1-yl hydrogen phosphate?
The canonical SMILES for phosphono piperidin-1-yl hydrogen phosphate is O=P(O)(O)OP(=O)(O)ON1CCCCC1.
What is the InChIKey of phosphono piperidin-1-yl hydrogen phosphate?
The InChIKey is MSRFNBLQIMAFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO7P2/c7-14(8,9)13-15(10,11)12-6-4-2-1-3-5-6/h1-5H2,(H,10,11)(H2,7,8,9).
What are the key properties of phosphono piperidin-1-yl hydrogen phosphate?
phosphono piperidin-1-yl hydrogen phosphate has a molecular weight of 261.11 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono piperidin-1-yl hydrogen phosphate is sourced from PubChem (CID 87216699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).