(1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid

C8H19NO7P2 — CID 11066627

IUPAC(1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid
SMILESO=P(O)(O)C(O)(CCN1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)4-7-9-5-2-1-3-6-9/h10H,1-7H2,(H2,11,12,13)(H2,14,15,16)
InChIKeyMYLIHVDCDNRFNF-UHFFFAOYSA-N
MW303.19 g/mol
LogP-0.14
Rot. Bonds5

About (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid

(1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid (PubChem CID 11066627) has the molecular formula C8H19NO7P2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid.

Molecular Properties

Compound Name(1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid
PubChem CID11066627
Molecular FormulaC8H19NO7P2
Molecular Weight303.19 g/mol
Exact Mass303.06
IUPAC Name(1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid
SMILESO=P(O)(O)C(O)(CCN1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)4-7-9-5-2-1-3-6-9/h10H,1-7H2,(H2,11,12,13)(H2,14,15,16)
InChIKeyMYLIHVDCDNRFNF-UHFFFAOYSA-N
XLogP-0.14
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ibandronate
CID 60852
Ibandronate Sodium
CID 23663991
Boniva
CID 44828485
Ibandronate Sodium Anhydrous
CID 23670359
Sdccgsbi-0633790.P001
CID 146015366
3-(N-Cyclohexyl-N-methylamino)-1-hydroxy-propane-1,1-diphosphonic acid
CID 14011705
[(4-Hydroxypiperidin-1-yl)methanediyl]bis(phosphonic acid)
CID 406060
hydroxy-[(1R)-1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate
CID 24868264
1-Hydroxy-1-phosphono-3-(1-piperidino)propylidene-1-phosphonate
CID 139058997
Ibandronate monohydrate
CID 57520671
(1-Hydroxy-3-(methyl(pentyl)amino)propane-1,1-diyl)diphosphonic acid, sodium salt hydrate
CID 86820676
[1-Hydroxy-3-[pentyl(propan-2-yl)amino]-1-phosphonopropyl]phosphonic acid
CID 129256540

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid?
The IUPAC name of (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid (CID 11066627) is (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid.
What is the SMILES notation for (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid?
The canonical SMILES for (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid is O=P(O)(O)C(O)(CCN1CCCCC1)P(=O)(O)O.
What is the InChIKey of (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid?
The InChIKey is MYLIHVDCDNRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)4-7-9-5-2-1-3-6-9/h10H,1-7H2,(H2,11,12,13)(H2,14,15,16).
What are the key properties of (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid?
(1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid has a molecular weight of 303.19 g/mol, XLogP of -0.14, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-phosphono-3-piperidin-1-ylpropyl)phosphonic acid is sourced from PubChem (CID 11066627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).