tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate

C13H23NO2 — CID 123836479

IUPACtert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
SMILESC=CC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO2/c1-6-13(5)8-7-9-14(10-13)11(15)16-12(2,3)4/h6H,1,7-10H2,2-5H3
InChIKeyZPRCWENUEQLFSE-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate

tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate (PubChem CID 123836479) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
PubChem CID123836479
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
SMILESC=CC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO2/c1-6-13(5)8-7-9-14(10-13)11(15)16-12(2,3)4/h6H,1,7-10H2,2-5H3
InChIKeyZPRCWENUEQLFSE-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86314284
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
1-O-tert-butyl 3-O-methyl 3-prop-2-enylpiperidine-1,3-dicarboxylate
CID 67479344
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate (CID 123836479) is tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate is C=CC1(C)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate?
The InChIKey is ZPRCWENUEQLFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-13(5)8-7-9-14(10-13)11(15)16-12(2,3)4/h6H,1,7-10H2,2-5H3.
What are the key properties of tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate?
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 123836479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).