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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Related Compounds

tert-butyl 4-[(E)-2-(3-tert-butylphenyl)ethenyl]piperidine-1-carboxylate
CID 59686322
tert-butyl 4-[(E)-2-[3-(methoxymethoxy)phenyl]ethenyl]piperidine-1-carboxylate
CID 59686353
tert-butyl (2S)-2-[2-(3-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 90685358
tert-butyl 4-[2-(4-methylsulfanylphenyl)ethenyl]piperidine-1-carboxylate
CID 67082506
tert-butyl 4-[(E)-2-(2-fluorophenyl)ethenyl]piperidine-1-carboxylate
CID 59686411
tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67067068
tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate
CID 156725948
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626
N-[1-[3-(3-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 72689495
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl (3R)-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
CID 71006943
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515

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).