tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate

C15H23FN2O2 — CID 67544136

IUPACtert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC(F)=C1C1CCNCC1
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)20-14(19)18-10-4-5-12(16)13(18)11-6-8-17-9-7-11/h4-5,11,17H,6-10H2,1-3H3
InChIKeySQDNEISGCYVXSC-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.97
Rot. Bonds1

About tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate

tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 67544136) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID67544136
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Nametert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CC(F)=C1C1CCNCC1
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)20-14(19)18-10-4-5-12(16)13(18)11-6-8-17-9-7-11/h4-5,11,17H,6-10H2,1-3H3
InChIKeySQDNEISGCYVXSC-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 67544136) is tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=CC(F)=C1C1CCNCC1.
What is the InChIKey of tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is SQDNEISGCYVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2,3)20-14(19)18-10-4-5-12(16)13(18)11-6-8-17-9-7-11/h4-5,11,17H,6-10H2,1-3H3.
What are the key properties of tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 67544136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).