tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate

C18H25NO2 — CID 142894877

IUPACtert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate
SMILESCC1C/C(=C/c2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO2/c1-14-12-16(13-15-8-6-5-7-9-15)10-11-19(14)17(20)21-18(2,3)4/h5-9,13-14H,10-12H2,1-4H3/b16-13+
InChIKeyGNSISNHYAYEVDO-DTQAZKPQSA-N
MW287.40 g/mol
LogP4.49
Rot. Bonds1

About tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate

tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate (PubChem CID 142894877) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate
PubChem CID142894877
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nametert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate
SMILESCC1C/C(=C/c2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO2/c1-14-12-16(13-15-8-6-5-7-9-15)10-11-19(14)17(20)21-18(2,3)4/h5-9,13-14H,10-12H2,1-4H3/b16-13+
InChIKeyGNSISNHYAYEVDO-DTQAZKPQSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2R,4E)-2-methyl-4-(3-phenylmethoxypropylidene)piperidine-1-carboxylate
CID 170529694
tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate
CID 67459081
tert-butyl (5E)-5-benzylidene-2-methyl-1,3-oxazolidine-3-carboxylate
CID 163886931
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
CID 11414318
(2S)-4-[(4-methylphenyl)methylidene]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166139554
4-[(4-methylphenyl)methylidene]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171617348
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
tert-butyl 4-[(3-aminophenyl)methylidene]piperidine-1-carboxylate
CID 166025750
tert-butyl (3E)-3-[[4-(benzhydrylideneamino)phenyl]methylidene]pyrrolidine-1-carboxylate
CID 166035748
benzyl (2R,4Z)-4-(2-methoxy-2-oxoethylidene)-2-methylpiperidine-1-carboxylate
CID 99906294
tert-butyl 4-methyl-2-phenylpyrrolidine-1-carboxylate
CID 170718600
tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate
CID 174681084

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate (CID 142894877) is tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate is CC1C/C(=C/c2ccccc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate?
The InChIKey is GNSISNHYAYEVDO-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-12-16(13-15-8-6-5-7-9-15)10-11-19(14)17(20)21-18(2,3)4/h5-9,13-14H,10-12H2,1-4H3/b16-13+.
What are the key properties of tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate?
tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 142894877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).