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

C15H25NO3 — CID 138962997

IUPACtert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate
SMILESCC(C)=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-11(2)10-13(17)12-6-8-16(9-7-12)14(18)19-15(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyHVKDXAOVGCAFNB-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.17
Rot. Bonds2

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

tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate (PubChem CID 138962997) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate
PubChem CID138962997
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate
SMILESCC(C)=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-11(2)10-13(17)12-6-8-16(9-7-12)14(18)19-15(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyHVKDXAOVGCAFNB-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 6-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline-2-carboxylate
CID 58075241
Tert-butyl 4-(but-2-enoyl)piperidine-1-carboxylate
CID 137699029
tert-Butyl (3Z)-3-ethylidene-4-oxopiperidine-1-carboxylate
CID 57514464
Tert-butyl 4-(2-methylprop-1-enyl)piperidine-1-carboxylate
CID 176434249
tert-butyl 4-[(Z)-prop-1-enyl]piperidine-1-carboxylate
CID 144493286
tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate
CID 71136903
tert-butyl 4a-fluoro-5-oxo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 89649900
tert-butyl (4aR)-4a-fluoro-5-oxo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 89649901
Tert-butyl 4-(8-fluorocycloocta-1,3,7-triene-1-carbonyl)piperidine-1-carboxylate
CID 123718302
tert-butyl (4Z)-3-fluoro-4-(2-oxopropylidene)piperidine-1-carboxylate
CID 176829579
tert-butyl 6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-2-carboxylate
CID 82663812
t-Butyl 3-[(e,z)-3,6-dimethylhept-2-enyl]-4-oxopiperidine-1-carboxylate
CID 129749427

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate (CID 138962997) is tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate is CC(C)=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate?
The InChIKey is HVKDXAOVGCAFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)10-13(17)12-6-8-16(9-7-12)14(18)19-15(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate?
tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylbut-2-enoyl)piperidine-1-carboxylate is sourced from PubChem (CID 138962997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).