[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid

C15H22NO5P — CID 73257880

IUPAC[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid
SMILESCC1CC(C)CN(C(=O)COc2ccccc2P(=O)(O)O)C1
InChIInChI=1S/C15H22NO5P/c1-11-7-12(2)9-16(8-11)15(17)10-21-13-5-3-4-6-14(13)22(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19,20)
InChIKeyCWHGMAAFLXIZPZ-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.37
Rot. Bonds4

About [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid

[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid (PubChem CID 73257880) has the molecular formula C15H22NO5P and a molecular weight of 327.32 g/mol. Its IUPAC name is [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid.

Molecular Properties

Compound Name[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid
PubChem CID73257880
Molecular FormulaC15H22NO5P
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid
SMILESCC1CC(C)CN(C(=O)COc2ccccc2P(=O)(O)O)C1
InChIInChI=1S/C15H22NO5P/c1-11-7-12(2)9-16(8-11)15(17)10-21-13-5-3-4-6-14(13)22(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19,20)
InChIKeyCWHGMAAFLXIZPZ-UHFFFAOYSA-N
XLogP1.37
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380296
1-[2-(2-ethoxyphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119451
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 17217256
2-(2,6-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786341
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515943
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515940
2-(2-bromo-4-chlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786449
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81439719
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid?
The IUPAC name of [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid (CID 73257880) is [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid.
What is the SMILES notation for [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid?
The canonical SMILES for [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid is CC1CC(C)CN(C(=O)COc2ccccc2P(=O)(O)O)C1.
What is the InChIKey of [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid?
The InChIKey is CWHGMAAFLXIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO5P/c1-11-7-12(2)9-16(8-11)15(17)10-21-13-5-3-4-6-14(13)22(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19,20).
What are the key properties of [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid?
[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid has a molecular weight of 327.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]phosphonic acid is sourced from PubChem (CID 73257880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).