2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate

C19H26FNO2 — CID 89361623

IUPAC2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(/C=C/c2cccc(F)c2)CC1
InChIInChI=1S/C19H26FNO2/c1-4-19(2,3)23-18(22)21-12-10-15(11-13-21)8-9-16-6-5-7-17(20)14-16/h5-9,14-15H,4,10-13H2,1-3H3/b9-8+
InChIKeyGDOFRZRFGFFTAW-CMDGGOBGSA-N
MW319.42 g/mol
LogP4.88
Rot. Bonds4

About 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate

2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate (PubChem CID 89361623) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate
PubChem CID89361623
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(/C=C/c2cccc(F)c2)CC1
InChIInChI=1S/C19H26FNO2/c1-4-19(2,3)23-18(22)21-12-10-15(11-13-21)8-9-16-6-5-7-17(20)14-16/h5-9,14-15H,4,10-13H2,1-3H3/b9-8+
InChIKeyGDOFRZRFGFFTAW-CMDGGOBGSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate (CID 89361623) is 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(/C=C/c2cccc(F)c2)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate?
The InChIKey is GDOFRZRFGFFTAW-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-4-19(2,3)23-18(22)21-12-10-15(11-13-21)8-9-16-6-5-7-17(20)14-16/h5-9,14-15H,4,10-13H2,1-3H3/b9-8+.
What are the key properties of 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate?
2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate has a molecular weight of 319.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-[(E)-2-(3-fluorophenyl)ethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 89361623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).