piperidin-2-ylphosphonic acid

C5H12NO3P — CID 2785326

IUPACpiperidin-2-ylphosphonic acid
SMILESO=P(O)(O)C1CCCCN1
InChIInChI=1S/C5H12NO3P/c7-10(8,9)5-3-1-2-4-6-5/h5-6H,1-4H2,(H2,7,8,9)
InChIKeyLEJHSTQMBAEWEX-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.26
Rot. Bonds1

About piperidin-2-ylphosphonic acid

piperidin-2-ylphosphonic acid (PubChem CID 2785326) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is piperidin-2-ylphosphonic acid.

Molecular Properties

Compound Namepiperidin-2-ylphosphonic acid
PubChem CID2785326
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Namepiperidin-2-ylphosphonic acid
SMILESO=P(O)(O)C1CCCCN1
InChIInChI=1S/C5H12NO3P/c7-10(8,9)5-3-1-2-4-6-5/h5-6H,1-4H2,(H2,7,8,9)
InChIKeyLEJHSTQMBAEWEX-UHFFFAOYSA-N
XLogP0.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-piperidin-2-yl]phosphonic acid
CID 11829783
[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998
2-dimethylphosphorylpyrrolidine;hydrochloride
CID 138987795
(2-methylpiperidin-3-yl)phosphonic acid
CID 138723768
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
azacyclononadecan-2-ol
CID 22924253
3-phosphonopiperidine-2-carboxylic acid
CID 14850766
(2R)-2-diethoxyphosphorylpyrrolidine
CID 10727017
(2R)-piperidine-2-carboxylic acid
CID 10725378
phosphoric acid;tris(pyrrolidine)
CID 172771048
azacyclohenicosane-2-carboxylic acid
CID 22341743

Frequently Asked Questions

What is the IUPAC name of piperidin-2-ylphosphonic acid?
The IUPAC name of piperidin-2-ylphosphonic acid (CID 2785326) is piperidin-2-ylphosphonic acid.
What is the SMILES notation for piperidin-2-ylphosphonic acid?
The canonical SMILES for piperidin-2-ylphosphonic acid is O=P(O)(O)C1CCCCN1.
What is the InChIKey of piperidin-2-ylphosphonic acid?
The InChIKey is LEJHSTQMBAEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3P/c7-10(8,9)5-3-1-2-4-6-5/h5-6H,1-4H2,(H2,7,8,9).
What are the key properties of piperidin-2-ylphosphonic acid?
piperidin-2-ylphosphonic acid has a molecular weight of 165.13 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-ylphosphonic acid is sourced from PubChem (CID 2785326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).