1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol

C13H27NO2 — CID 88999908

IUPAC1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCC(C)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H27NO2/c1-7-10(2)16-14-12(3,4)8-11(15)9-13(14,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyADKHFCDWAXVDPT-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.73
Rot. Bonds3

About 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol

1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 88999908) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID88999908
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCC(C)ON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C13H27NO2/c1-7-10(2)16-14-12(3,4)8-11(15)9-13(14,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyADKHFCDWAXVDPT-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 88999908) is 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol is CCC(C)ON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is ADKHFCDWAXVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-10(2)16-14-12(3,4)8-11(15)9-13(14,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol?
1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 229.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 88999908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).