(1,2,2-trimethylpiperidin-4-yl) acetate

C10H19NO2 — CID 163597402

IUPAC(1,2,2-trimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C)C(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-8(12)13-9-5-6-11(4)10(2,3)7-9/h9H,5-7H2,1-4H3
InChIKeyGUQDUJMDDYDDPM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds1

About (1,2,2-trimethylpiperidin-4-yl) acetate

(1,2,2-trimethylpiperidin-4-yl) acetate (PubChem CID 163597402) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1,2,2-trimethylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1,2,2-trimethylpiperidin-4-yl) acetate
PubChem CID163597402
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1,2,2-trimethylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C)C(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-8(12)13-9-5-6-11(4)10(2,3)7-9/h9H,5-7H2,1-4H3
InChIKeyGUQDUJMDDYDDPM-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
[(1S,3R)-3-acetyl-3,4,4-trimethylcyclopentyl] acetate
CID 15375852
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
CID 89097628
[(1R,3S,6S)-1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-yl] acetate
CID 15375850
(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
CID 101373916
(4,4-diaminocyclohexyl) acetate
CID 174708289
(1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate
CID 89160679
(6-acetyloxycyclodecyl) acetate
CID 539578
[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
CID 123414870
[1-(1-fluoroethyl)piperidin-4-yl] acetate
CID 174500944
[1-(2-acetamidoethyl)piperidin-4-yl] acetate
CID 58811218

Frequently Asked Questions

What is the IUPAC name of (1,2,2-trimethylpiperidin-4-yl) acetate?
The IUPAC name of (1,2,2-trimethylpiperidin-4-yl) acetate (CID 163597402) is (1,2,2-trimethylpiperidin-4-yl) acetate.
What is the SMILES notation for (1,2,2-trimethylpiperidin-4-yl) acetate?
The canonical SMILES for (1,2,2-trimethylpiperidin-4-yl) acetate is CC(=O)OC1CCN(C)C(C)(C)C1.
What is the InChIKey of (1,2,2-trimethylpiperidin-4-yl) acetate?
The InChIKey is GUQDUJMDDYDDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(12)13-9-5-6-11(4)10(2,3)7-9/h9H,5-7H2,1-4H3.
What are the key properties of (1,2,2-trimethylpiperidin-4-yl) acetate?
(1,2,2-trimethylpiperidin-4-yl) acetate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trimethylpiperidin-4-yl) acetate is sourced from PubChem (CID 163597402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).