1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine

C16H28N4 — CID 80634855

IUPAC1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCN(C)C(C)C2)c(C)c1
InChIInChI=1S/C16H28N4/c1-5-15(17)9-14-8-12(2)16(18-10-14)20-7-6-19(4)13(3)11-20/h8,10,13,15H,5-7,9,11,17H2,1-4H3
InChIKeyIRWQZDRGRKXPJU-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.81
Rot. Bonds4

About 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine

1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine (PubChem CID 80634855) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine
PubChem CID80634855
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCN(C)C(C)C2)c(C)c1
InChIInChI=1S/C16H28N4/c1-5-15(17)9-14-8-12(2)16(18-10-14)20-7-6-19(4)13(3)11-20/h8,10,13,15H,5-7,9,11,17H2,1-4H3
InChIKeyIRWQZDRGRKXPJU-UHFFFAOYSA-N
XLogP1.81
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine (CID 80634855) is 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnc(N2CCN(C)C(C)C2)c(C)c1.
What is the InChIKey of 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine?
The InChIKey is IRWQZDRGRKXPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-15(17)9-14-8-12(2)16(18-10-14)20-7-6-19(4)13(3)11-20/h8,10,13,15H,5-7,9,11,17H2,1-4H3.
What are the key properties of 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine?
1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80634855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).