(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate

C15H29NO2 — CID 163662842

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate
SMILESCC(C)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-11(2)8-13(17)18-12-9-14(3,4)16(7)15(5,6)10-12/h11-12H,8-10H2,1-7H3
InChIKeyWUKYWHOGJJAHCS-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds3

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate (PubChem CID 163662842) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate
PubChem CID163662842
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate
SMILESCC(C)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-11(2)8-13(17)18-12-9-14(3,4)16(7)15(5,6)10-12/h11-12H,8-10H2,1-7H3
InChIKeyWUKYWHOGJJAHCS-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate (CID 163662842) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate is CC(C)CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate?
The InChIKey is WUKYWHOGJJAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)8-13(17)18-12-9-14(3,4)16(7)15(5,6)10-12/h11-12H,8-10H2,1-7H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate has a molecular weight of 255.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 3-methylbutanoate is sourced from PubChem (CID 163662842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).