(1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate

C16H29NO4 — CID 20792533

IUPAC(1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate
SMILESCCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C16H29NO4/c1-8-15(6)10-14(20-12(4)18)11(3)16(7,9-2)17(15)21-13(5)19/h11,14H,8-10H2,1-7H3
InChIKeyIOZLQTRHZYWUEP-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.08
Rot. Bonds4

About (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate

(1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate (PubChem CID 20792533) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate
PubChem CID20792533
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate
SMILESCCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C16H29NO4/c1-8-15(6)10-14(20-12(4)18)11(3)16(7,9-2)17(15)21-13(5)19/h11,14H,8-10H2,1-7H3
InChIKeyIOZLQTRHZYWUEP-UHFFFAOYSA-N
XLogP3.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate?
The IUPAC name of (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate (CID 20792533) is (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate?
The canonical SMILES for (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate is CCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1OC(C)=O.
What is the InChIKey of (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate?
The InChIKey is IOZLQTRHZYWUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-8-15(6)10-14(20-12(4)18)11(3)16(7,9-2)17(15)21-13(5)19/h11,14H,8-10H2,1-7H3.
What are the key properties of (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate?
(1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate has a molecular weight of 299.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate is sourced from PubChem (CID 20792533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).