tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate

C16H20F4N2O2 — CID 144984113

IUPACtert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H20F4N2O2/c1-14(2,3)24-13(23)22-8-6-15(17,7-9-22)11-4-5-12(21-10-11)16(18,19)20/h4-5,10H,6-9H2,1-3H3
InChIKeyOAUIVBZGDPCSRD-UHFFFAOYSA-N
MW348.34 g/mol
LogP4.30
Rot. Bonds1

About tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 144984113) has the molecular formula C16H20F4N2O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
PubChem CID144984113
Molecular FormulaC16H20F4N2O2
Molecular Weight348.34 g/mol
Exact Mass348.15
IUPAC Nametert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H20F4N2O2/c1-14(2,3)24-13(23)22-8-6-15(17,7-9-22)11-4-5-12(21-10-11)16(18,19)20/h4-5,10H,6-9H2,1-3H3
InChIKeyOAUIVBZGDPCSRD-UHFFFAOYSA-N
XLogP4.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12884174
1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
CID 71656525
(25E)-1,18-diazoniatricyclo[31.3.1.114,18]octatriaconta-1(36),14(38),15,17,25,33(37),34-heptaene;bis(2,2,2-trifluoroacetate)
CID 23327627
1-[4-(13,14-Difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]ethanone
CID 14554146
1-[4-(13-Fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
CID 14885628
1-[4-(14-Fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
CID 14885629
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(dipyridin-3-ylmethyl)piperazine-1-carboxylate
CID 71656799
1-[4-(5,6-Dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
CID 524022
N-methyl-N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide
CID 133052758
Tert-butyl 4-[1-(pyridin-3-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 54580880
tert-butyl 6-amino-5,7,7-tricyano-8-(3-pyridinyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CID 657576
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 44403552

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate (CID 144984113) is tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is OAUIVBZGDPCSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O2/c1-14(2,3)24-13(23)22-8-6-15(17,7-9-22)11-4-5-12(21-10-11)16(18,19)20/h4-5,10H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 348.34 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 144984113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).