4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid

C14H27NO4 — CID 59891522

IUPAC4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
SMILESCON1C(C)(C)CC(OCCCC(=O)O)CC1(C)C
InChIInChI=1S/C14H27NO4/c1-13(2)9-11(19-8-6-7-12(16)17)10-14(3,4)15(13)18-5/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyHSTJVSBSUWRWMF-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.45
Rot. Bonds6

About 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid

4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid (PubChem CID 59891522) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid.

Molecular Properties

Compound Name4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
PubChem CID59891522
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
SMILESCON1C(C)(C)CC(OCCCC(=O)O)CC1(C)C
InChIInChI=1S/C14H27NO4/c1-13(2)9-11(19-8-6-7-12(16)17)10-14(3,4)15(13)18-5/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyHSTJVSBSUWRWMF-UHFFFAOYSA-N
XLogP2.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2,2,6,6-tetramethyl-4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethoxy]piperidine
CID 123943572
10-[4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxy-10-oxodecanoic acid
CID 70489036
bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 20576509
1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 68791470
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 67448789
(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate
CID 54035365
(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate
CID 54536773
1-methoxy-4-[8-(1-methoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxyoctoxy]-2,2,7,7-tetramethylazepane
CID 129212649
CID 140891551
CID 140891551
(4-butoxy-2,2,6,6-tetramethylpiperidin-1-yl) nitrate
CID 139948387
CID 101128218
CID 101128218

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
The IUPAC name of 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid (CID 59891522) is 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid.
What is the SMILES notation for 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
The canonical SMILES for 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid is CON1C(C)(C)CC(OCCCC(=O)O)CC1(C)C.
What is the InChIKey of 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
The InChIKey is HSTJVSBSUWRWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-13(2)9-11(19-8-6-7-12(16)17)10-14(3,4)15(13)18-5/h11H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid?
4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid has a molecular weight of 273.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid is sourced from PubChem (CID 59891522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).