2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine

C12H20N2S — CID 65460707

IUPAC2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1CN1CCNCC1(C)C
InChIInChI=1S/C12H20N2S/c1-10-4-7-15-11(10)8-14-6-5-13-9-12(14,2)3/h4,7,13H,5-6,8-9H2,1-3H3
InChIKeyRJQUJKNJYDHKBS-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.24
Rot. Bonds2

About 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine

2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine (PubChem CID 65460707) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine
PubChem CID65460707
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1CN1CCNCC1(C)C
InChIInChI=1S/C12H20N2S/c1-10-4-7-15-11(10)8-14-6-5-13-9-12(14,2)3/h4,7,13H,5-6,8-9H2,1-3H3
InChIKeyRJQUJKNJYDHKBS-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine (CID 65460707) is 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine is Cc1ccsc1CN1CCNCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is RJQUJKNJYDHKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-4-7-15-11(10)8-14-6-5-13-9-12(14,2)3/h4,7,13H,5-6,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine?
2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 224.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 65460707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).