tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate

C15H23ClN4O2 — CID 23577310

IUPACtert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C15H23ClN4O2/c1-15(2,3)22-14(21)20-8-4-11(5-9-20)10-19-13-12(16)17-6-7-18-13/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,19)
InChIKeyIPYZOWMKVFBXME-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 23577310) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID23577310
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Nametert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C15H23ClN4O2/c1-15(2,3)22-14(21)20-8-4-11(5-9-20)10-19-13-12(16)17-6-7-18-13/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,19)
InChIKeyIPYZOWMKVFBXME-UHFFFAOYSA-N
XLogP3.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate (CID 23577310) is tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNc2nccnc2Cl)CC1.
What is the InChIKey of tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is IPYZOWMKVFBXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-15(2,3)22-14(21)20-8-4-11(5-9-20)10-19-13-12(16)17-6-7-18-13/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 326.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 23577310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).