tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate

C14H25NO2 — CID 45276350

IUPACtert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate
SMILESCC(C)=C[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)10-12-8-6-7-9-15(12)13(16)17-14(3,4)5/h10,12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyQWWOWGRVXMEEGW-LBPRGKRZSA-N
MW239.36 g/mol
LogP3.74
Rot. Bonds1

About tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate (PubChem CID 45276350) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate
PubChem CID45276350
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate
SMILESCC(C)=C[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)10-12-8-6-7-9-15(12)13(16)17-14(3,4)5/h10,12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyQWWOWGRVXMEEGW-LBPRGKRZSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.74
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 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl (2S)-2-[(E)-2-hydroxy-2-methoxyethenyl]piperidine-1-carboxylate
CID 10400233
(Z)-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 118937301
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
CID 171369565
CID 171369565
tert-butyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 52916325
tert-butyl (2S)-2-[(E)-2-methyl-3-oxo-3-(propan-2-ylamino)prop-1-enyl]pyrrolidine-1-carboxylate
CID 101233094
tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
CID 150319571
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl 2-formylpiperidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;methane
CID 160782701
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate (CID 45276350) is tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate is CC(C)=C[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate?
The InChIKey is QWWOWGRVXMEEGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)10-12-8-6-7-9-15(12)13(16)17-14(3,4)5/h10,12H,6-9H2,1-5H3/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate is sourced from PubChem (CID 45276350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).