1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone

C12H23NO — CID 59745323

IUPAC1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(14)10-7-11(2,3)13(6)12(4,5)8-10/h10H,7-8H2,1-6H3
InChIKeyMUEVLKWIXCGRHH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.47
Rot. Bonds1

About 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone

1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone (PubChem CID 59745323) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone
PubChem CID59745323
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(14)10-7-11(2,3)13(6)12(4,5)8-10/h10H,7-8H2,1-6H3
InChIKeyMUEVLKWIXCGRHH-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2,4,6,6-hexamethylpiperidine;2-methylprop-2-enoic acid
CID 175054219
(1,2,2,6,6-pentamethylpiperidin-4-yl) formate
CID 54067513
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
CID 12991967
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
tris(1,2,2,6,6-pentamethylpiperidin-4-ol);phosphorous acid
CID 160951906
2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid
CID 175065777
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid
CID 70529144
[2-(1,2,2,6,6-pentamethylpiperidine-4-carbonyl)oxy-3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxycyclopentyl] 1,2,2,6,6-pentamethylpiperidine-4-carboxylate
CID 139317505
1,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
CID 142944905
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone (CID 59745323) is 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone is CC(=O)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone?
The InChIKey is MUEVLKWIXCGRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(14)10-7-11(2,3)13(6)12(4,5)8-10/h10H,7-8H2,1-6H3.
What are the key properties of 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone?
1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 59745323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).