1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine

C18H25N3S — CID 46203977

IUPAC1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccsc3)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C18H25N3S/c1-18(2,3)16-11-15(14-5-10-22-13-14)12-17(19-16)21-8-6-20(4)7-9-21/h5,10-13H,6-9H2,1-4H3
InChIKeyRELOKIWPUZSMRE-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.86
Rot. Bonds2

About 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine

1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine (PubChem CID 46203977) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
PubChem CID46203977
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccsc3)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C18H25N3S/c1-18(2,3)16-11-15(14-5-10-22-13-14)12-17(19-16)21-8-6-20(4)7-9-21/h5,10-13H,6-9H2,1-4H3
InChIKeyRELOKIWPUZSMRE-UHFFFAOYSA-N
XLogP3.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-but-2-enedioic acid;1-(6-ethyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
CID 68620754
but-2-enedioic acid;1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
CID 68620387
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 155901264
1-methyl-4-(6-methyl-4-phenyl-2-pyridinyl)piperazine
CID 11010984
4-(4-methylpiperazin-1-yl)-6-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 59777251
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 122341007
(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
CID 62252923
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline
CID 153459065
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 136531288

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine (CID 46203977) is 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine is CN1CCN(c2cc(-c3ccsc3)cc(C(C)(C)C)n2)CC1.
What is the InChIKey of 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is RELOKIWPUZSMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-18(2,3)16-11-15(14-5-10-22-13-14)12-17(19-16)21-8-6-20(4)7-9-21/h5,10-13H,6-9H2,1-4H3.
What are the key properties of 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine?
1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 315.49 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 46203977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).