tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate

C16H31NO2 — CID 71137841

IUPACtert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate
SMILESCC[C@@H]1C[C@H](C)[C@@H](C)[C@H](CC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-8-13-10-11(3)12(4)14(9-2)17(13)15(18)19-16(5,6)7/h11-14H,8-10H2,1-7H3/t11-,12+,13+,14-/m0/s1
InChIKeyKOFKTZVHWHTSHA-DGAVXFQQSA-N
MW269.43 g/mol
LogP4.46
Rot. Bonds2

About tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate

tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate (PubChem CID 71137841) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate
PubChem CID71137841
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nametert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate
SMILESCC[C@@H]1C[C@H](C)[C@@H](C)[C@H](CC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-8-13-10-11(3)12(4)14(9-2)17(13)15(18)19-16(5,6)7/h11-14H,8-10H2,1-7H3/t11-,12+,13+,14-/m0/s1
InChIKeyKOFKTZVHWHTSHA-DGAVXFQQSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R,5S)-2,5-diethyl-3-hydroxypyrrolidine-1-carboxylate
CID 131734811
tert-butyl (1S,4R,6S)-4-(aminomethyl)-2-ethyl-5-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130206871
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (4S,5S)-3-ethyl-2,4,5-trimethylpyrrolidine-1-carboxylate
CID 90383955
tert-butyl (3aS,8aR)-2-ethyl-6-oxo-2,3,3a,4,5,7,8,8a-octahydrocyclohepta[b]pyrrole-1-carboxylate
CID 59465444
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl 2-methyl-5-azabicyclo[2.1.1]hexane-5-carboxylate
CID 166076980
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
1-O-tert-butyl 2-O-methyl (2R)-6-ethyl-4,4-difluoro-3-methylpiperidine-1,2-dicarboxylate
CID 90328367
tert-butyl 2,6-diethyl-4-(5-hydroxypyrimidin-2-yl)arsanylpiperidine-1-carboxylate
CID 173108449
tert-butyl 3-(bromomethyl)-2-ethylpyrrolidine-1-carboxylate
CID 131021142

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate (CID 71137841) is tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate is CC[C@@H]1C[C@H](C)[C@@H](C)[C@H](CC)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate?
The InChIKey is KOFKTZVHWHTSHA-DGAVXFQQSA-N. The full InChI is InChI=1S/C16H31NO2/c1-8-13-10-11(3)12(4)14(9-2)17(13)15(18)19-16(5,6)7/h11-14H,8-10H2,1-7H3/t11-,12+,13+,14-/m0/s1.
What are the key properties of tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate?
tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R,4S,6R)-2,6-diethyl-3,4-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 71137841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).