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

C14H22N4O2 — CID 82184571

IUPACtert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-10-16-5-4-11(12)15/h4-5,10H,6-9H2,1-3H3,(H2,15,16)
InChIKeyRVCAZUBHOCWAGY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.72
Rot. Bonds1

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

tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate (PubChem CID 82184571) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate
PubChem CID82184571
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cnccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-10-16-5-4-11(12)15/h4-5,10H,6-9H2,1-3H3,(H2,15,16)
InChIKeyRVCAZUBHOCWAGY-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

Analyze tert-butyl 4-(4-amino-3-pyridinyl)piperazine-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

Related Compounds

ethyl N-(pyridin-3-yl)carbamate
CID 235275
Piperazine, 1-(3-amino-4-pyridyl)-4-methyl-
CID 203473
tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
CID 11737525
tert-butyl 4-[1-(pyridin-4-yl)-1H-[1,2,3]triazol-4-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 44588462
(1-Pyridin-4-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487896
Ethyl 4-pyridinylcarbamate
CID 766500
tert-butyl N-(2-methylpyridin-3-yl)carbamate
CID 68563825
4-(Boc-amino)pyridine
CID 9990210
3-Amino-4-(Boc-amino)pyridine
CID 11095863
Tert-butyl 4-[1-(pyridin-3-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 54580880
2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
CID 156907210
[4-(Dimethylamino)pyridin-1-ium-1-yl] piperidine-1-carboxylate
CID 4568693

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate (CID 82184571) is tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cnccc2N)CC1.
What is the InChIKey of tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate?
The InChIKey is RVCAZUBHOCWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-10-16-5-4-11(12)15/h4-5,10H,6-9H2,1-3H3,(H2,15,16).
What are the key properties of tert-butyl 4-(4-amino-3-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(4-amino-3-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-(4-amino-3-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 82184571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).