tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate

C15H27NO2 — CID 142324969

IUPACtert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
SMILESC=CC(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-6-12(2)11-13-7-9-16(10-8-13)14(17)18-15(3,4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyGGWNZGIKZHHMAA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate

tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate (PubChem CID 142324969) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
PubChem CID142324969
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
SMILESC=CC(C)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-6-12(2)11-13-7-9-16(10-8-13)14(17)18-15(3,4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyGGWNZGIKZHHMAA-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
tert-butyl 4-(2-methylsulfonyloxypropyl)piperidine-1-carboxylate
CID 86639836
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate (CID 142324969) is tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate is C=CC(C)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate?
The InChIKey is GGWNZGIKZHHMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-12(2)11-13-7-9-16(10-8-13)14(17)18-15(3,4)5/h6,12-13H,1,7-11H2,2-5H3.
What are the key properties of tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate?
tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 142324969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).