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

C16H21F3N2O2 — CID 154714537

IUPACtert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21-8-6-11(7-9-21)12-4-5-13(20-10-12)16(17,18)19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyIBZLMJPPQUCIBO-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.21
Rot. Bonds1

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

tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 154714537) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
PubChem CID154714537
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Nametert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21-8-6-11(7-9-21)12-4-5-13(20-10-12)16(17,18)19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyIBZLMJPPQUCIBO-UHFFFAOYSA-N
XLogP4.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Deschloro Loratadine
CID 12884174
1,1,1,3,3,3-hexafluoropropan-2-yl N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
CID 71656525
1-[4-(5,6-Dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
CID 524022
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
Tert-butyl 4-[[4-(3-fluoro-4-pyridinyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
CID 66554933
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(dipyridin-3-ylmethyl)piperazine-1-carboxylate
CID 71656799
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-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate (CID 154714537) is tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is IBZLMJPPQUCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21-8-6-11(7-9-21)12-4-5-13(20-10-12)16(17,18)19/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 330.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 154714537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).