tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate

C14H20FN3O2 — CID 69455005

IUPACtert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ncccn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-13(2,3)20-12(19)18-9-5-14(15,6-10-18)11-16-7-4-8-17-11/h4,7-8H,5-6,9-10H2,1-3H3
InChIKeyHYZNWRLUEJYJLB-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.67
Rot. Bonds1

About tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate

tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate (PubChem CID 69455005) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
PubChem CID69455005
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Nametert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ncccn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-13(2,3)20-12(19)18-9-5-14(15,6-10-18)11-16-7-4-8-17-11/h4,7-8H,5-6,9-10H2,1-3H3
InChIKeyHYZNWRLUEJYJLB-UHFFFAOYSA-N
XLogP2.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylate
CID 178078018
tert-butyl 3-oxospiro[furo[2,3-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 142434085
tert-butyl 4-(2-aminoethyl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 68895447
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyrimidin-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719560
tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
CID 176821528
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate (CID 69455005) is tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(c2ncccn2)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate?
The InChIKey is HYZNWRLUEJYJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-13(2,3)20-12(19)18-9-5-14(15,6-10-18)11-16-7-4-8-17-11/h4,7-8H,5-6,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate?
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 69455005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).