tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate

C19H33NO3 — CID 104892491

IUPACtert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
SMILESCC1CCCC(CC(=O)C2CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO3/c1-14-9-8-12-16(20(14)18(22)23-19(2,3)4)13-17(21)15-10-6-5-7-11-15/h14-16H,5-13H2,1-4H3
InChIKeyCREJCGGDQYWBPH-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.70
Rot. Bonds3

About tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate

tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate (PubChem CID 104892491) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
PubChem CID104892491
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
SMILESCC1CCCC(CC(=O)C2CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO3/c1-14-9-8-12-16(20(14)18(22)23-19(2,3)4)13-17(21)15-10-6-5-7-11-15/h14-16H,5-13H2,1-4H3
InChIKeyCREJCGGDQYWBPH-UHFFFAOYSA-N
XLogP4.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
CID 116685387
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl 2-(2-cyclopropyl-2-oxoethyl)piperidine-1-carboxylate
CID 79536550
tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
CID 70015662
tert-butyl 2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)piperidine-1-carboxylate
CID 104892458
tert-butyl 2-methyl-6-(2-oxocycloheptyl)piperidine-1-carboxylate
CID 104892473
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
CID 134856290
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-methyl-5-propylpyrrolidine-1-carboxylate;carbon dioxide
CID 165081876
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate (CID 104892491) is tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate is CC1CCCC(CC(=O)C2CCCCC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate?
The InChIKey is CREJCGGDQYWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-14-9-8-12-16(20(14)18(22)23-19(2,3)4)13-17(21)15-10-6-5-7-11-15/h14-16H,5-13H2,1-4H3.
What are the key properties of tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate?
tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate is sourced from PubChem (CID 104892491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).