tert-butyl formate;4-piperazin-1-ylpyridin-3-amine

C14H24N4O2 — CID 174601786

IUPACtert-butyl formate;4-piperazin-1-ylpyridin-3-amine
SMILESCC(C)(C)OC=O.Nc1cnccc1N1CCNCC1
InChIInChI=1S/C9H14N4.C5H10O2/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13;1-5(2,3)7-4-6/h1-2,7,11H,3-6,10H2;4H,1-3H3
InChIKeyTWKZADFCMVDIKK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds2

About tert-butyl formate;4-piperazin-1-ylpyridin-3-amine

tert-butyl formate;4-piperazin-1-ylpyridin-3-amine (PubChem CID 174601786) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl formate;4-piperazin-1-ylpyridin-3-amine.

Molecular Properties

Compound Nametert-butyl formate;4-piperazin-1-ylpyridin-3-amine
PubChem CID174601786
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl formate;4-piperazin-1-ylpyridin-3-amine
SMILESCC(C)(C)OC=O.Nc1cnccc1N1CCNCC1
InChIInChI=1S/C9H14N4.C5H10O2/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13;1-5(2,3)7-4-6/h1-2,7,11H,3-6,10H2;4H,1-3H3
InChIKeyTWKZADFCMVDIKK-UHFFFAOYSA-N
XLogP1.03
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
The IUPAC name of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine (CID 174601786) is tert-butyl formate;4-piperazin-1-ylpyridin-3-amine.
What is the SMILES notation for tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
The canonical SMILES for tert-butyl formate;4-piperazin-1-ylpyridin-3-amine is CC(C)(C)OC=O.Nc1cnccc1N1CCNCC1.
What is the InChIKey of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
The InChIKey is TWKZADFCMVDIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.C5H10O2/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13;1-5(2,3)7-4-6/h1-2,7,11H,3-6,10H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-piperazin-1-ylpyridin-3-amine?
tert-butyl formate;4-piperazin-1-ylpyridin-3-amine has a molecular weight of 280.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-piperazin-1-ylpyridin-3-amine is sourced from PubChem (CID 174601786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).