1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one

C14H27NO4 — CID 175254715

IUPAC1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
SMILESCCC(=O)CC(O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H27NO4/c1-6-10(16)7-12(17)19-11-8-13(2,3)15(18)14(4,5)9-11/h11-12,17-18H,6-9H2,1-5H3
InChIKeySXHJWKVGUTVGEU-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.10
Rot. Bonds5

About 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one

1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one (PubChem CID 175254715) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one.

Molecular Properties

Compound Name1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
PubChem CID175254715
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
SMILESCCC(=O)CC(O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H27NO4/c1-6-10(16)7-12(17)19-11-8-13(2,3)15(18)14(4,5)9-11/h11-12,17-18H,6-9H2,1-5H3
InChIKeySXHJWKVGUTVGEU-UHFFFAOYSA-N
XLogP2.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
CID 175254714
CID 58670470
CID 58670470
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 129281730
2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91027819
1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 141097112
4-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbutanedioate
CID 118137042
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-hydroxy-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypentane-1,2,3-tricarboxylate
CID 126536363
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
CID 139944892

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
The IUPAC name of 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one (CID 175254715) is 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one.
What is the SMILES notation for 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
The canonical SMILES for 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one is CCC(=O)CC(O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
The InChIKey is SXHJWKVGUTVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-6-10(16)7-12(17)19-11-8-13(2,3)15(18)14(4,5)9-11/h11-12,17-18H,6-9H2,1-5H3.
What are the key properties of 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one has a molecular weight of 273.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one is sourced from PubChem (CID 175254715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).