[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid

C8H19NO7P2 — CID 22406539

IUPAC[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
SMILESCC1CCCCN1CC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO7P2/c1-7-4-2-3-5-9(7)6-8(10,17(11,12)13)18(14,15)16/h7,10H,2-6H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyGOLWWJBTUTYLHU-UHFFFAOYSA-N
MW303.19 g/mol
LogP-0.14
Rot. Bonds4

About [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid

[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid (PubChem CID 22406539) has the molecular formula C8H19NO7P2 and a molecular weight of 303.19 g/mol. Its IUPAC name is [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid.

Molecular Properties

Compound Name[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
PubChem CID22406539
Molecular FormulaC8H19NO7P2
Molecular Weight303.19 g/mol
Exact Mass303.06
IUPAC Name[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
SMILESCC1CCCCN1CC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C8H19NO7P2/c1-7-4-2-3-5-9(7)6-8(10,17(11,12)13)18(14,15)16/h7,10H,2-6H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyGOLWWJBTUTYLHU-UHFFFAOYSA-N
XLogP-0.14
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
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

1-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 64818768
2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid
CID 62272835
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
(2-methylpiperidin-1-yl)methanol
CID 67262865
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
CID 104550406
1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 64818955
1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 130487919
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63907850

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid?
The IUPAC name of [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid (CID 22406539) is [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid.
What is the SMILES notation for [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid?
The canonical SMILES for [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid is CC1CCCCN1CC(O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid?
The InChIKey is GOLWWJBTUTYLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO7P2/c1-7-4-2-3-5-9(7)6-8(10,17(11,12)13)18(14,15)16/h7,10H,2-6H2,1H3,(H2,11,12,13)(H2,14,15,16).
What are the key properties of [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid?
[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid has a molecular weight of 303.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid is sourced from PubChem (CID 22406539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).