(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid

C7H18N2O6P2 — CID 57081293

IUPAC(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
SMILESNC(CN1CCCCC1)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H18N2O6P2/c8-7(16(10,11)12,17(13,14)15)6-9-4-2-1-3-5-9/h1-6,8H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyAIVPBPDDPYDDLS-UHFFFAOYSA-N
MW288.18 g/mol
LogP-0.56
Rot. Bonds4

About (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid

(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid (PubChem CID 57081293) has the molecular formula C7H18N2O6P2 and a molecular weight of 288.18 g/mol. Its IUPAC name is (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
PubChem CID57081293
Molecular FormulaC7H18N2O6P2
Molecular Weight288.18 g/mol
Exact Mass288.06
IUPAC Name(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
SMILESNC(CN1CCCCC1)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C7H18N2O6P2/c8-7(16(10,11)12,17(13,14)15)6-9-4-2-1-3-5-9/h1-6,8H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyAIVPBPDDPYDDLS-UHFFFAOYSA-N
XLogP-0.56
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
The IUPAC name of (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid (CID 57081293) is (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid.
What is the SMILES notation for (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
The canonical SMILES for (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid is NC(CN1CCCCC1)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
The InChIKey is AIVPBPDDPYDDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O6P2/c8-7(16(10,11)12,17(13,14)15)6-9-4-2-1-3-5-9/h1-6,8H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid has a molecular weight of 288.18 g/mol, XLogP of -0.56, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid is sourced from PubChem (CID 57081293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).