tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate

C13H23NO3 — CID 67459081

IUPACtert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1C/C(=C\CO)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-10-9-11(6-8-15)5-7-14(10)12(16)17-13(2,3)4/h6,10,15H,5,7-9H2,1-4H3/b11-6-/t10-/m0/s1
InChIKeyIGALMSCZXHAMMC-OYUORYAFSA-N
MW241.33 g/mol
LogP2.32
Rot. Bonds1

About tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate

tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate (PubChem CID 67459081) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate
PubChem CID67459081
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1C/C(=C\CO)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-10-9-11(6-8-15)5-7-14(10)12(16)17-13(2,3)4/h6,10,15H,5,7-9H2,1-4H3/b11-6-/t10-/m0/s1
InChIKeyIGALMSCZXHAMMC-OYUORYAFSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate
CID 142894877
tert-butyl (2R,4E)-2-methyl-4-(3-phenylmethoxypropylidene)piperidine-1-carboxylate
CID 170529694
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate
CID 160752889
tert-butyl 4-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylate
CID 67080790
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl (2S)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2-methylpiperidine-1-carboxylate
CID 169138133
tert-butyl (5E)-5-(2-acetyloxyethylidene)-3-methylazepane-1-carboxylate
CID 155716672
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
1-O-tert-butyl 2-O-methyl (4Z)-4-(methoxymethylidene)piperidine-1,2-dicarboxylate
CID 163294572
tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate
CID 70879988

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate (CID 67459081) is tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate is C[C@H]1C/C(=C\CO)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate?
The InChIKey is IGALMSCZXHAMMC-OYUORYAFSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-9-11(6-8-15)5-7-14(10)12(16)17-13(2,3)4/h6,10,15H,5,7-9H2,1-4H3/b11-6-/t10-/m0/s1.
What are the key properties of tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate?
tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 67459081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).