[(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid

C8H19NO6P2 — CID 7272394

IUPAC[(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid
SMILESO=P(O)(O)C[C@H](CN1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c10-16(11,12)7-8(17(13,14)15)6-9-4-2-1-3-5-9/h8H,1-7H2,(H2,10,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKeyBDFDPJWKVVJPPF-QMMMGPOBSA-N
MW287.19 g/mol
LogP0.20
Rot. Bonds5

About [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid

[(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid (PubChem CID 7272394) has the molecular formula C8H19NO6P2 and a molecular weight of 287.19 g/mol. Its IUPAC name is [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid
PubChem CID7272394
Molecular FormulaC8H19NO6P2
Molecular Weight287.19 g/mol
Exact Mass287.07
IUPAC Name[(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid
SMILESO=P(O)(O)C[C@H](CN1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H19NO6P2/c10-16(11,12)7-8(17(13,14)15)6-9-4-2-1-3-5-9/h8H,1-7H2,(H2,10,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKeyBDFDPJWKVVJPPF-QMMMGPOBSA-N
XLogP0.20
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 50.20
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-(azacyclododec-1-yl)propan-2-ol
CID 58868254
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
piperidin-1-ylmethylsulfanylphosphonic acid
CID 167617396
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
1-piperidin-1-ylpropan-2-ol;yttrium
CID 59057948
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 107474872
1-pyrrolidin-1-ylethylphosphonic acid;pyrrolidin-1-ylmethylphosphonic acid
CID 162251792
2-hydroxy-3-pyrrolidin-1-ylpropane-1-sulfonic acid
CID 12046466
(2-phosphono-1-piperidin-1-ylpropan-2-yl)phosphonic acid
CID 57189331
(1-amino-1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
CID 57081293

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid?
The IUPAC name of [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid (CID 7272394) is [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid.
What is the SMILES notation for [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid?
The canonical SMILES for [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid is O=P(O)(O)C[C@H](CN1CCCCC1)P(=O)(O)O.
What is the InChIKey of [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid?
The InChIKey is BDFDPJWKVVJPPF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO6P2/c10-16(11,12)7-8(17(13,14)15)6-9-4-2-1-3-5-9/h8H,1-7H2,(H2,10,11,12)(H2,13,14,15)/t8-/m0/s1.
What are the key properties of [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid?
[(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid has a molecular weight of 287.19 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-phosphono-3-piperidin-1-ylpropan-2-yl]phosphonic acid is sourced from PubChem (CID 7272394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).