tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate

C12H21NO2 — CID 51668764

IUPACtert-butyl (3R)-3-ethenylpiperidine-1-carboxylate
SMILESC=C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3/t10-/m0/s1
InChIKeyJCQBWMAWTUBARI-JTQLQIEISA-N
MW211.30 g/mol
LogP2.82
Rot. Bonds1

About tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate

tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate (PubChem CID 51668764) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-ethenylpiperidine-1-carboxylate
PubChem CID51668764
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl (3R)-3-ethenylpiperidine-1-carboxylate
SMILESC=C[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3/t10-/m0/s1
InChIKeyJCQBWMAWTUBARI-JTQLQIEISA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate (CID 51668764) is tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate is C=C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate?
The InChIKey is JCQBWMAWTUBARI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3/t10-/m0/s1.
What are the key properties of tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate?
tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-ethenylpiperidine-1-carboxylate is sourced from PubChem (CID 51668764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).