1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine

C15H19N3S — CID 25218150

IUPAC1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
SMILESCc1cscc1-c1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C15H19N3S/c1-12-10-19-11-14(12)15-9-13(3-4-16-15)18-7-5-17(2)6-8-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyASSVOFRNQWFNNO-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.87
Rot. Bonds2

About 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine

1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine (PubChem CID 25218150) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
PubChem CID25218150
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
SMILESCc1cscc1-c1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C15H19N3S/c1-12-10-19-11-14(12)15-9-13(3-4-16-15)18-7-5-17(2)6-8-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyASSVOFRNQWFNNO-UHFFFAOYSA-N
XLogP2.87
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
CID 141166517
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
CID 25218278
1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine
CID 25218280
3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 136531288
2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
CID 135839351
N,N-dimethyl-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]aniline
CID 25216821
4-pyrrolidin-1-yl-2-(4-pyrrolidin-1-yl-2-pyridinyl)pyridine
CID 11601769
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285764
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazole
CID 136531289

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine (CID 25218150) is 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine is Cc1cscc1-c1cc(N2CCN(C)CC2)ccn1.
What is the InChIKey of 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine?
The InChIKey is ASSVOFRNQWFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-10-19-11-14(12)15-9-13(3-4-16-15)18-7-5-17(2)6-8-18/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine?
1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine has a molecular weight of 273.41 g/mol, XLogP of 2.87, 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-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine is sourced from PubChem (CID 25218150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).