tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate

C15H23N3O4 — CID 68604358

IUPACtert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cnc(CO)cn2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-6-4-12(5-7-18)21-13-9-16-11(10-19)8-17-13/h8-9,12,19H,4-7,10H2,1-3H3
InChIKeyJGRIFLXAEFUNOW-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.75
Rot. Bonds3

About tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate (PubChem CID 68604358) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate
PubChem CID68604358
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cnc(CO)cn2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-6-4-12(5-7-18)21-13-9-16-11(10-19)8-17-13/h8-9,12,19H,4-7,10H2,1-3H3
InChIKeyJGRIFLXAEFUNOW-UHFFFAOYSA-N
XLogP1.75
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate (CID 68604358) is tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cnc(CO)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
The InChIKey is JGRIFLXAEFUNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-6-4-12(5-7-18)21-13-9-16-11(10-19)8-17-13/h8-9,12,19H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(hydroxymethyl)pyrazin-2-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 68604358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).