(1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate

C12H19NO4 — CID 89160679

IUPAC(1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate
SMILESC=C1CC(OC(C)=O)CC(C)(C)N1OC(C)=O
InChIInChI=1S/C12H19NO4/c1-8-6-11(16-9(2)14)7-12(4,5)13(8)17-10(3)15/h11H,1,6-7H2,2-5H3
InChIKeyLMCZEOYGWAYJOX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.78
Rot. Bonds2

About (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate

(1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate (PubChem CID 89160679) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate
PubChem CID89160679
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate
SMILESC=C1CC(OC(C)=O)CC(C)(C)N1OC(C)=O
InChIInChI=1S/C12H19NO4/c1-8-6-11(16-9(2)14)7-12(4,5)13(8)17-10(3)15/h11H,1,6-7H2,2-5H3
InChIKeyLMCZEOYGWAYJOX-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) 2-methylprop-2-enoate
CID 89042777
(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
CID 101373916
(1,2,2-trimethylpiperidin-4-yl) acetate
CID 163597402
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
CID 89097628
but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)
CID 173111319
(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
CID 20792531
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
[(3aR,4S,6R,8aS)-4-hydroxy-2,2-dimethyl-8-methylidene-1,3,3a,4,5,6,7,8a-octahydroazulen-6-yl] acetate
CID 10753330
(2,3,3-trimethyl-7-methylidene-2,3a,4,5,6,7a-hexahydro-1H-inden-5-yl) acetate
CID 89155104
[(1S,3R)-3-acetyl-3,4,4-trimethylcyclopentyl] acetate
CID 15375852

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate?
The IUPAC name of (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate (CID 89160679) is (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate.
What is the SMILES notation for (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate?
The canonical SMILES for (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate is C=C1CC(OC(C)=O)CC(C)(C)N1OC(C)=O.
What is the InChIKey of (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate?
The InChIKey is LMCZEOYGWAYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8-6-11(16-9(2)14)7-12(4,5)13(8)17-10(3)15/h11H,1,6-7H2,2-5H3.
What are the key properties of (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate?
(1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate has a molecular weight of 241.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2,2-dimethyl-6-methylidenepiperidin-4-yl) acetate is sourced from PubChem (CID 89160679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).