tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate

C15H25NO2 — CID 162398404

IUPACtert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1/C=C/C1CC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-11-5-4-6-13(16)10-9-12-7-8-12/h9-10,12-13H,4-8,11H2,1-3H3/b10-9+
InChIKeyCZPJTVQTFMERCE-MDZDMXLPSA-N
MW251.37 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate

tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate (PubChem CID 162398404) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate
PubChem CID162398404
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1/C=C/C1CC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-11-5-4-6-13(16)10-9-12-7-8-12/h9-10,12-13H,4-8,11H2,1-3H3/b10-9+
InChIKeyCZPJTVQTFMERCE-MDZDMXLPSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
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-Vinylpiperidine-1-carboxylate
CID 14898394
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 8-methyl-10-azabicyclo[4.3.1]deca-3,7-diene-10-carboxylate
CID 73040298
Tert-butyl 2-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 10656811
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
t-Butyl 4-allyl-3,6-dihydropyridine-1(2h)-carboxylate
CID 129754607
tert-butyl 4-[(Z)-prop-1-enyl]piperidine-1-carboxylate
CID 144493286
tert-butyl N-cyclohex-2-en-1-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 9971859
tert-butyl (2S)-2-prop-2-enylpiperidine-1-carboxylate
CID 11218388
tert-butyl (2R,4aS,8aS)-2-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline-1-carboxylate
CID 11448106

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate (CID 162398404) is tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1/C=C/C1CC1.
What is the InChIKey of tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate?
The InChIKey is CZPJTVQTFMERCE-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-11-5-4-6-13(16)10-9-12-7-8-12/h9-10,12-13H,4-8,11H2,1-3H3/b10-9+.
What are the key properties of tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate?
tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 162398404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).