(1,4-diethylpiperidin-4-yl) acetate

C11H21NO2 — CID 143626837

IUPAC(1,4-diethylpiperidin-4-yl) acetate
SMILESCCN1CCC(CC)(OC(C)=O)CC1
InChIInChI=1S/C11H21NO2/c1-4-11(14-10(3)13)6-8-12(5-2)9-7-11/h4-9H2,1-3H3
InChIKeySEQYVRNSIOBZST-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds3

About (1,4-diethylpiperidin-4-yl) acetate

(1,4-diethylpiperidin-4-yl) acetate (PubChem CID 143626837) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1,4-diethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1,4-diethylpiperidin-4-yl) acetate
PubChem CID143626837
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1,4-diethylpiperidin-4-yl) acetate
SMILESCCN1CCC(CC)(OC(C)=O)CC1
InChIInChI=1S/C11H21NO2/c1-4-11(14-10(3)13)6-8-12(5-2)9-7-11/h4-9H2,1-3H3
InChIKeySEQYVRNSIOBZST-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,4-diethylpiperidin-4-yl) acetate?
The IUPAC name of (1,4-diethylpiperidin-4-yl) acetate (CID 143626837) is (1,4-diethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1,4-diethylpiperidin-4-yl) acetate?
The canonical SMILES for (1,4-diethylpiperidin-4-yl) acetate is CCN1CCC(CC)(OC(C)=O)CC1.
What is the InChIKey of (1,4-diethylpiperidin-4-yl) acetate?
The InChIKey is SEQYVRNSIOBZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(14-10(3)13)6-8-12(5-2)9-7-11/h4-9H2,1-3H3.
What are the key properties of (1,4-diethylpiperidin-4-yl) acetate?
(1,4-diethylpiperidin-4-yl) acetate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-diethylpiperidin-4-yl) acetate is sourced from PubChem (CID 143626837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).