tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate

C15H27NO2 — CID 145139835

IUPACtert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate
SMILESC/C=C1\CC(CC)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-7-12-9-11(3)16(13(8-2)10-12)14(17)18-15(4,5)6/h8,11-12H,7,9-10H2,1-6H3/b13-8+
InChIKeyNQTSVHCJDMOLKN-MDWZMJQESA-N
MW253.39 g/mol
LogP4.34
Rot. Bonds1

About tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate

tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate (PubChem CID 145139835) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate
PubChem CID145139835
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate
SMILESC/C=C1\CC(CC)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-7-12-9-11(3)16(13(8-2)10-12)14(17)18-15(4,5)6/h8,11-12H,7,9-10H2,1-6H3/b13-8+
InChIKeyNQTSVHCJDMOLKN-MDWZMJQESA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347
tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
tert-butyl 2-(2-ethoxy-2-oxoethylidene)-5-methylpyrrolidine-1-carboxylate
CID 155892500
tert-butyl (3S,5S)-5-formyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 89448958
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
1-O-tert-butyl 3-O-methyl (5R)-5-ethyl-2-oxopyrrolidine-1,3-dicarboxylate
CID 170406657
tert-butyl (2E,5R)-2-ethylidene-5-methylpiperazine-1-carboxylate
CID 58767444
tert-butyl 4-ethyl-2-oxooxathiazolidine-3-carboxylate
CID 123671599
tert-butyl (3R,5S)-5-(hydroxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 22883709
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
tert-butyl (2S,4S)-2-acetyl-4-ethylpyrrolidine-1-carboxylate
CID 90244791
(2S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86723602

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate (CID 145139835) is tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate is C/C=C1\CC(CC)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate?
The InChIKey is NQTSVHCJDMOLKN-MDWZMJQESA-N. The full InChI is InChI=1S/C15H27NO2/c1-7-12-9-11(3)16(13(8-2)10-12)14(17)18-15(4,5)6/h8,11-12H,7,9-10H2,1-6H3/b13-8+.
What are the key properties of tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate?
tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E)-4-ethyl-2-ethylidene-6-methylpiperidine-1-carboxylate is sourced from PubChem (CID 145139835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).