[(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid

C8H19NO6P2 — CID 11231509

IUPAC[(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESCCC1CCCCN1C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c1-2-7-5-3-4-6-9(7)8(16(10,11)12)17(13,14)15/h7-8H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyUXLYBUDXNDPMSK-UHFFFAOYSA-N
MW287.19 g/mol
LogP0.89
Rot. Bonds4

About [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid

[(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid (PubChem CID 11231509) has the molecular formula C8H19NO6P2 and a molecular weight of 287.19 g/mol. Its IUPAC name is [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
PubChem CID11231509
Molecular FormulaC8H19NO6P2
Molecular Weight287.19 g/mol
Exact Mass287.07
IUPAC Name[(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESCCC1CCCCN1C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c1-2-7-5-3-4-6-9(7)8(16(10,11)12)17(13,14)15/h7-8H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKeyUXLYBUDXNDPMSK-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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

N-cyclohexyl-N,N-bis(phosphonomethyl)amine
CID 4561102
[3-(2-Tridecyl-piperidin-1-yl)-propyl]-phosphonic acid
CID 44394161
Phosphonic acid, [(2,6-dimethyl-1-piperidinyl)methylene]bis-
CID 5277471
[(2-Methylpiperidin-1-yl)methylene]bis(phosphonic acid)
CID 5276560
[[Cyclohexyl(ethyl)amino]-phosphonomethyl]phosphonic acid
CID 11150772
[(2-methyl-1-piperidyl)-phosphono-methyl]phosphonic Acid
CID 5276559
Tropane phosphonate
CID 129821252
((Heptylimino)bis(methylene))bisphosphonic acid
CID 80097
3-Piperidylpropane-1,2-diphosphonic acid
CID 4534880
[(Dihexylamino)-phosphonomethyl]phosphonic acid
CID 15918590
[2-(1,1-Dimethylpiperidin-1-ium-2-yl)-1-(methylamino)-1-phosphonoethyl]phosphonic acid
CID 17764373
[2-(2-Methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 19689054

Frequently Asked Questions

What is the IUPAC name of [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid (CID 11231509) is [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid is CCC1CCCCN1C(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
The InChIKey is UXLYBUDXNDPMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6P2/c1-2-7-5-3-4-6-9(7)8(16(10,11)12)17(13,14)15/h7-8H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15).
What are the key properties of [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid?
[(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid has a molecular weight of 287.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 11231509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).