tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate

C14H22N4O2 — CID 71304702

IUPACtert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-6-4-10(5-7-18)11-8-16-9-12(15)17-11/h8-10H,4-7H2,1-3H3,(H2,15,17)
InChIKeyVLYSRTNLQMRBAJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.17
Rot. Bonds1

About tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate (PubChem CID 71304702) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate
PubChem CID71304702
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-6-4-10(5-7-18)11-8-16-9-12(15)17-11/h8-10H,4-7H2,1-3H3,(H2,15,17)
InChIKeyVLYSRTNLQMRBAJ-UHFFFAOYSA-N
XLogP2.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate (CID 71304702) is tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cncc(N)n2)CC1.
What is the InChIKey of tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate?
The InChIKey is VLYSRTNLQMRBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-6-4-10(5-7-18)11-8-16-9-12(15)17-11/h8-10H,4-7H2,1-3H3,(H2,15,17).
What are the key properties of tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-aminopyrazin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 71304702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).