tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate

C15H21FN2O2 — CID 59505113

IUPACtert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyBRNHWTXGGRWIDA-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.34
Rot. Bonds1

About tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 59505113) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate
PubChem CID59505113
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nametert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyBRNHWTXGGRWIDA-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Deschloro Loratadine
CID 12884174
2-(1-Methylpiperidin-4-yl)pyridine
CID 3020566
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
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
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 44403552
Tert-butyl 4-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 56682377
Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate
CID 155535743
Ethyl 3-(pyridin-3-yl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 42602913
Ethyl 4-(2-pyridylmethyl)piperazinecarboxylate
CID 653131

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate (CID 59505113) is tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncccc2F)CC1.
What is the InChIKey of tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is BRNHWTXGGRWIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 280.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-fluoro-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 59505113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).