(2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid

C8H19NO6P2 — CID 57189331

IUPAC(2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid
SMILESCC(CN1CCCCC1)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c1-8(16(10,11)12,17(13,14)15)7-9-5-3-2-4-6-9/h2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyPVYSVODZNGEICC-UHFFFAOYSA-N
MW287.19 g/mol
LogP0.54
Rot. Bonds4

About (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid

(2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid (PubChem CID 57189331) has the molecular formula C8H19NO6P2 and a molecular weight of 287.19 g/mol. Its IUPAC name is (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid
PubChem CID57189331
Molecular FormulaC8H19NO6P2
Molecular Weight287.19 g/mol
Exact Mass287.07
IUPAC Name(2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid
SMILESCC(CN1CCCCC1)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c1-8(16(10,11)12,17(13,14)15)7-9-5-3-2-4-6-9/h2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyPVYSVODZNGEICC-UHFFFAOYSA-N
XLogP0.54
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
CID 57081293
1-(2,2-dimethylpropyl)azocane
CID 131007399
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
piperidin-1-ylmethylsulfanylphosphonic acid
CID 167617396
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
2-methyl-2-(piperidin-1-ylmethyl)butanamide
CID 67635187
1-(azepan-1-yl)-2-methylpentan-2-ol
CID 106291182
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
1-(2-methoxy-2-methylpropyl)piperidine
CID 23384646
1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine
CID 154467917

Frequently Asked Questions

What is the IUPAC name of (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid?
The IUPAC name of (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid (CID 57189331) is (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid.
What is the SMILES notation for (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid?
The canonical SMILES for (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid is CC(CN1CCCCC1)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid?
The InChIKey is PVYSVODZNGEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6P2/c1-8(16(10,11)12,17(13,14)15)7-9-5-3-2-4-6-9/h2-7H2,1H3,(H2,10,11,12)(H2,13,14,15).
What are the key properties of (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid?
(2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid has a molecular weight of 287.19 g/mol, XLogP of 0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid is sourced from PubChem (CID 57189331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).