tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate

C14H20FN3O2 — CID 162376382

IUPACtert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)20-13(19)10-4-6-18(7-5-10)12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3
InChIKeyPWDVQUCXLIWZBS-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.17
Rot. Bonds2

About tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate

tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 162376382) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID162376382
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Nametert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)20-13(19)10-4-6-18(7-5-10)12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3
InChIKeyPWDVQUCXLIWZBS-UHFFFAOYSA-N
XLogP2.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate (CID 162376382) is tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(c2cc(F)ncn2)CC1.
What is the InChIKey of tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is PWDVQUCXLIWZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2,3)20-13(19)10-4-6-18(7-5-10)12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate?
tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 162376382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).