[(2S)-piperidin-2-yl]phosphonic acid

C5H12NO3P — CID 11829783

IUPAC[(2S)-piperidin-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@H]1CCCCN1
InChIInChI=1S/C5H12NO3P/c7-10(8,9)5-3-1-2-4-6-5/h5-6H,1-4H2,(H2,7,8,9)/t5-/m0/s1
InChIKeyLEJHSTQMBAEWEX-YFKPBYRVSA-N
MW165.13 g/mol
LogP0.26
Rot. Bonds1

About [(2S)-piperidin-2-yl]phosphonic acid

[(2S)-piperidin-2-yl]phosphonic acid (PubChem CID 11829783) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is [(2S)-piperidin-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2S)-piperidin-2-yl]phosphonic acid
PubChem CID11829783
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name[(2S)-piperidin-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@H]1CCCCN1
InChIInChI=1S/C5H12NO3P/c7-10(8,9)5-3-1-2-4-6-5/h5-6H,1-4H2,(H2,7,8,9)/t5-/m0/s1
InChIKeyLEJHSTQMBAEWEX-YFKPBYRVSA-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

piperidin-2-ylphosphonic acid
CID 2785326
[(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 [(2S)-piperidin-2-yl]phosphonic acid?
The IUPAC name of [(2S)-piperidin-2-yl]phosphonic acid (CID 11829783) is [(2S)-piperidin-2-yl]phosphonic acid.
What is the SMILES notation for [(2S)-piperidin-2-yl]phosphonic acid?
The canonical SMILES for [(2S)-piperidin-2-yl]phosphonic acid is O=P(O)(O)[C@H]1CCCCN1.
What is the InChIKey of [(2S)-piperidin-2-yl]phosphonic acid?
The InChIKey is LEJHSTQMBAEWEX-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of [(2S)-piperidin-2-yl]phosphonic acid?
[(2S)-piperidin-2-yl]phosphonic 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 [(2S)-piperidin-2-yl]phosphonic acid is sourced from PubChem (CID 11829783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).