1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol

C17H35NO3 — CID 89208992

IUPAC1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol
SMILESCCC(C)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C17H35NO3/c1-9-13(2)21-14-10-15(3,4)18(16(5,6)11-14)20-12-17(7,8)19/h13-14,19H,9-12H2,1-8H3
InChIKeyIVRMJECTHVVLNO-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.53
Rot. Bonds6

About 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol

1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol (PubChem CID 89208992) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol
PubChem CID89208992
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol
SMILESCCC(C)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C17H35NO3/c1-9-13(2)21-14-10-15(3,4)18(16(5,6)11-14)20-12-17(7,8)19/h13-14,19H,9-12H2,1-8H3
InChIKeyIVRMJECTHVVLNO-UHFFFAOYSA-N
XLogP3.53
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol?
The IUPAC name of 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol (CID 89208992) is 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol is CCC(C)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.
What is the InChIKey of 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol?
The InChIKey is IVRMJECTHVVLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-9-13(2)21-14-10-15(3,4)18(16(5,6)11-14)20-12-17(7,8)19/h13-14,19H,9-12H2,1-8H3.
What are the key properties of 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol?
1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol has a molecular weight of 301.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol is sourced from PubChem (CID 89208992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).