tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate

C16H21F2NO2 — CID 67059992

IUPACtert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ccccc2F)CC1
InChIInChI=1S/C16H21F2NO2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-6-4-5-7-13(12)17/h4-7H,8-11H2,1-3H3
InChIKeyAJAFGXGPNZZAAU-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.02
Rot. Bonds1

About tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate

tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate (PubChem CID 67059992) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
PubChem CID67059992
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Nametert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ccccc2F)CC1
InChIInChI=1S/C16H21F2NO2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-6-4-5-7-13(12)17/h4-7H,8-11H2,1-3H3
InChIKeyAJAFGXGPNZZAAU-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
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tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
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tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
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CID 174479489
magnesium;tert-butyl 4-(2-fluorophenyl)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;fluorobenzene;methane;chloride
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tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate (CID 67059992) is tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(c2ccccc2F)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is AJAFGXGPNZZAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-15(2,3)21-14(20)19-10-8-16(18,9-11-19)12-6-4-5-7-13(12)17/h4-7H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate?
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 67059992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).