3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine

C13H22N4 — CID 104540306

IUPAC3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESCCC(C)N1CCN(c2cccnc2N)CC1
InChIInChI=1S/C13H22N4/c1-3-11(2)16-7-9-17(10-8-16)12-5-4-6-15-13(12)14/h4-6,11H,3,7-10H2,1-2H3,(H2,14,15)
InChIKeySVHZVNJKHISLSI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.58
Rot. Bonds3

About 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine

3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine (PubChem CID 104540306) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
PubChem CID104540306
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESCCC(C)N1CCN(c2cccnc2N)CC1
InChIInChI=1S/C13H22N4/c1-3-11(2)16-7-9-17(10-8-16)12-5-4-6-15-13(12)14/h4-6,11H,3,7-10H2,1-2H3,(H2,14,15)
InChIKeySVHZVNJKHISLSI-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine (CID 104540306) is 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine is CCC(C)N1CCN(c2cccnc2N)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is SVHZVNJKHISLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11(2)16-7-9-17(10-8-16)12-5-4-6-15-13(12)14/h4-6,11H,3,7-10H2,1-2H3,(H2,14,15).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine?
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 104540306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).