1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine

C12H20N2S — CID 65416150

IUPAC1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine
SMILESCc1cc(CN2CCNC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-9-7-14(5-4-13-9)8-12-6-10(2)15-11(12)3/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyJTYZIVLEBWTGQQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.16
Rot. Bonds2

About 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine

1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine (PubChem CID 65416150) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine
PubChem CID65416150
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine
SMILESCc1cc(CN2CCNC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-9-7-14(5-4-13-9)8-12-6-10(2)15-11(12)3/h6,9,13H,4-5,7-8H2,1-3H3
InChIKeyJTYZIVLEBWTGQQ-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 103885885
(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
CID 94339879
1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
CID 66202420
3-[(2,5-dimethylthiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490392
2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol
CID 65417223
1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575263
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
CID 83811097
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 130644711
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine (CID 65416150) is 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine is Cc1cc(CN2CCNC(C)C2)c(C)s1.
What is the InChIKey of 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine?
The InChIKey is JTYZIVLEBWTGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-7-14(5-4-13-9)8-12-6-10(2)15-11(12)3/h6,9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine?
1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine has a molecular weight of 224.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 65416150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).