(1-ethylpiperidin-4-yl) acetate

C9H17NO2 — CID 11480704

IUPAC(1-ethylpiperidin-4-yl) acetate
SMILESCCN1CCC(OC(C)=O)CC1
InChIInChI=1S/C9H17NO2/c1-3-10-6-4-9(5-7-10)12-8(2)11/h9H,3-7H2,1-2H3
InChIKeyCCTBHQKMFMZIRE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About (1-ethylpiperidin-4-yl) acetate

(1-ethylpiperidin-4-yl) acetate (PubChem CID 11480704) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) acetate
PubChem CID11480704
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1-ethylpiperidin-4-yl) acetate
SMILESCCN1CCC(OC(C)=O)CC1
InChIInChI=1S/C9H17NO2/c1-3-10-6-4-9(5-7-10)12-8(2)11/h9H,3-7H2,1-2H3
InChIKeyCCTBHQKMFMZIRE-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) acetate?
The IUPAC name of (1-ethylpiperidin-4-yl) acetate (CID 11480704) is (1-ethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-ethylpiperidin-4-yl) acetate?
The canonical SMILES for (1-ethylpiperidin-4-yl) acetate is CCN1CCC(OC(C)=O)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) acetate?
The InChIKey is CCTBHQKMFMZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-6-4-9(5-7-10)12-8(2)11/h9H,3-7H2,1-2H3.
What are the key properties of (1-ethylpiperidin-4-yl) acetate?
(1-ethylpiperidin-4-yl) acetate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) acetate is sourced from PubChem (CID 11480704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).