tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate

C22H33NO2 — CID 156725948

IUPACtert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate
SMILESCCC(C)c1ccc(/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H33NO2/c1-6-17(2)20-11-9-18(10-12-20)7-8-19-13-15-23(16-14-19)21(24)25-22(3,4)5/h7-12,17,19H,6,13-16H2,1-5H3/b8-7+
InChIKeyCEJDTIUZSOUFJM-BQYQJAHWSA-N
MW343.51 g/mol
LogP5.86
Rot. Bonds4

About tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate

tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate (PubChem CID 156725948) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate
PubChem CID156725948
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Nametert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate
SMILESCCC(C)c1ccc(/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H33NO2/c1-6-17(2)20-11-9-18(10-12-20)7-8-19-13-15-23(16-14-19)21(24)25-22(3,4)5/h7-12,17,19H,6,13-16H2,1-5H3/b8-7+
InChIKeyCEJDTIUZSOUFJM-BQYQJAHWSA-N
XLogP5.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[2-(4-methylsulfanylphenyl)ethenyl]piperidine-1-carboxylate
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tert-butyl 4-[(E)-2-(3-tert-butylphenyl)ethenyl]piperidine-1-carboxylate
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CID 59686353
tert-butyl 4-[(E)-2-(2-fluorophenyl)ethenyl]piperidine-1-carboxylate
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tert-butyl 4-[4-[(4-butan-2-ylphenyl)carbamoylamino]phenyl]piperazine-1-carboxylate
CID 69451467
tert-butyl 4-[(Z)-pent-1-enyl]piperidine-1-carboxylate;1,2-dichloroethane
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tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
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tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate (CID 156725948) is tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate is CCC(C)c1ccc(/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate?
The InChIKey is CEJDTIUZSOUFJM-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H33NO2/c1-6-17(2)20-11-9-18(10-12-20)7-8-19-13-15-23(16-14-19)21(24)25-22(3,4)5/h7-12,17,19H,6,13-16H2,1-5H3/b8-7+.
What are the key properties of tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate?
tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate has a molecular weight of 343.51 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 156725948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).