1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine

C14H17N3S — CID 25218146

IUPAC1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine
SMILESCN1CCN(c2ccnc(-c3ccsc3)c2)CC1
InChIInChI=1S/C14H17N3S/c1-16-5-7-17(8-6-16)13-2-4-15-14(10-13)12-3-9-18-11-12/h2-4,9-11H,5-8H2,1H3
InChIKeySEEYCJAMJXMZMD-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.56
Rot. Bonds2

About 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine

1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine (PubChem CID 25218146) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine
PubChem CID25218146
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine
SMILESCN1CCN(c2ccnc(-c3ccsc3)c2)CC1
InChIInChI=1S/C14H17N3S/c1-16-5-7-17(8-6-16)13-2-4-15-14(10-13)12-3-9-18-11-12/h2-4,9-11H,5-8H2,1H3
InChIKeySEEYCJAMJXMZMD-UHFFFAOYSA-N
XLogP2.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine (CID 25218146) is 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine is CN1CCN(c2ccnc(-c3ccsc3)c2)CC1.
What is the InChIKey of 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine?
The InChIKey is SEEYCJAMJXMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-16-5-7-17(8-6-16)13-2-4-15-14(10-13)12-3-9-18-11-12/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine?
1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine has a molecular weight of 259.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-thiophen-3-yl-4-pyridinyl)piperazine is sourced from PubChem (CID 25218146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).