tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate

C15H22FN3O2 — CID 127267028

IUPACtert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)CC1CCCCN1c1cc(F)ncn1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)8-11-6-4-5-7-19(11)13-9-12(16)17-10-18-13/h9-11H,4-8H2,1-3H3
InChIKeyGOVWXBVRJHMAON-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate

tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate (PubChem CID 127267028) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate
PubChem CID127267028
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Nametert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)CC1CCCCN1c1cc(F)ncn1
InChIInChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)8-11-6-4-5-7-19(11)13-9-12(16)17-10-18-13/h9-11H,4-8H2,1-3H3
InChIKeyGOVWXBVRJHMAON-UHFFFAOYSA-N
XLogP2.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate?
The IUPAC name of tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate (CID 127267028) is tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate is CC(C)(C)OC(=O)CC1CCCCN1c1cc(F)ncn1.
What is the InChIKey of tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate?
The InChIKey is GOVWXBVRJHMAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)8-11-6-4-5-7-19(11)13-9-12(16)17-10-18-13/h9-11H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate?
tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate has a molecular weight of 295.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(6-fluoropyrimidin-4-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 127267028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).