(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate

C14H26NO3- — CID 142844351

IUPAC(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate
SMILESCCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1[O-]
InChIInChI=1S/C14H26NO3/c1-7-13(5)9-12(18-11(4)16)10(3)14(6,8-2)15(13)17/h10,12H,7-9H2,1-6H3/q-1
InChIKeyBBPJVWPJQLDJIJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.10
Rot. Bonds3

About (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate

(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate (PubChem CID 142844351) has the molecular formula C14H26NO3- and a molecular weight of 256.37 g/mol. Its IUPAC name is (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate.

Molecular Properties

Compound Name(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate
PubChem CID142844351
Molecular FormulaC14H26NO3-
Molecular Weight256.37 g/mol
Exact Mass256.19
IUPAC Name(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate
SMILESCCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1[O-]
InChIInChI=1S/C14H26NO3/c1-7-13(5)9-12(18-11(4)16)10(3)14(6,8-2)15(13)17/h10,12H,7-9H2,1-6H3/q-1
InChIKeyBBPJVWPJQLDJIJ-UHFFFAOYSA-N
XLogP3.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) decanedioate
CID 22323173
(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate
CID 91405439
(2,6-diethyl-2,3,6-trimethyl-1-prop-2-enylpiperidin-4-yl) (E)-but-2-enoate
CID 70604885
2-(2,6-diethyl-4-methoxy-2,3,6-trimethylpiperidin-1-yl)ethanol
CID 21330339
2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidine
CID 22182255
2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]oxy-2-oxoacetic acid
CID 141020106
[2,6-diethyl-2,3,6-trimethyl-1-(oxiran-2-ylmethyl)piperidin-4-yl] benzoate
CID 21330414
bis[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl] but-2-enedioate
CID 91158379
4-[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl]oxy-4-oxobut-2-enoic acid
CID 91592608
2-[2-(2,6-diethyl-2,3,6-trimethyl-4-prop-2-enoyloxypiperidin-1-yl)oxypropanoylamino]prop-2-enoic acid
CID 69292930
(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate
CID 21330442
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate?
The IUPAC name of (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate (CID 142844351) is (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate.
What is the SMILES notation for (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate?
The canonical SMILES for (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate is CCC1(C)CC(OC(C)=O)C(C)C(C)(CC)N1[O-].
What is the InChIKey of (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate?
The InChIKey is BBPJVWPJQLDJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO3/c1-7-13(5)9-12(18-11(4)16)10(3)14(6,8-2)15(13)17/h10,12H,7-9H2,1-6H3/q-1.
What are the key properties of (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate?
(2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate has a molecular weight of 256.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-2,3,6-trimethyl-1-oxidopiperidin-4-yl) acetate is sourced from PubChem (CID 142844351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).