1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine

C16H28N4 — CID 63604175

IUPAC1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccn1)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H28N4/c1-5-13(17)15(14-8-6-7-9-18-14)20-11-10-19(4)16(2,3)12-20/h6-9,13,15H,5,10-12,17H2,1-4H3
InChIKeyKSOKNHVRXLBRTC-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.89
Rot. Bonds4

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

1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine (PubChem CID 63604175) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
PubChem CID63604175
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccn1)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H28N4/c1-5-13(17)15(14-8-6-7-9-18-14)20-11-10-19(4)16(2,3)12-20/h6-9,13,15H,5,10-12,17H2,1-4H3
InChIKeyKSOKNHVRXLBRTC-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The IUPAC name of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine (CID 63604175) is 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine is CCC(N)C(c1ccccn1)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
The InChIKey is KSOKNHVRXLBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-13(17)15(14-8-6-7-9-18-14)20-11-10-19(4)16(2,3)12-20/h6-9,13,15H,5,10-12,17H2,1-4H3.
What are the key properties of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine?
1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 63604175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).