tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate

C14H22N4O2 — CID 43462405

IUPACtert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-4-5-16-10-11(12)15/h4-5,10H,6-9,15H2,1-3H3
InChIKeySSZANZXFYGCOGL-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate (PubChem CID 43462405) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
PubChem CID43462405
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-4-5-16-10-11(12)15/h4-5,10H,6-9,15H2,1-3H3
InChIKeySSZANZXFYGCOGL-UHFFFAOYSA-N
XLogP1.72
TPSA71.69 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 ≤ 51.72
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-amino-4-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate (CID 43462405) is tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccncc2N)CC1.
What is the InChIKey of tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate?
The InChIKey is SSZANZXFYGCOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-4-5-16-10-11(12)15/h4-5,10H,6-9,15H2,1-3H3.
What are the key properties of tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 43462405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).