2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine

C14H24N4O — CID 115320517

IUPAC2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(N)c(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-7-17(8-10-18)13-11(15)5-6-12(16-13)19-4/h5-6H,7-10,15H2,1-4H3
InChIKeyHZPXEUSSEXQBIA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine

2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine (PubChem CID 115320517) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine
PubChem CID115320517
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(N)c(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-7-17(8-10-18)13-11(15)5-6-12(16-13)19-4/h5-6H,7-10,15H2,1-4H3
InChIKeyHZPXEUSSEXQBIA-UHFFFAOYSA-N
XLogP1.59
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine (CID 115320517) is 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine is COc1ccc(N)c(N2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine?
The InChIKey is HZPXEUSSEXQBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)18-9-7-17(8-10-18)13-11(15)5-6-12(16-13)19-4/h5-6H,7-10,15H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine?
2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine is sourced from PubChem (CID 115320517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).