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

C11H18N2S — CID 763355

IUPAC1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1CN1CCN(C)CC1
InChIInChI=1S/C11H18N2S/c1-10-3-8-14-11(10)9-13-6-4-12(2)5-7-13/h3,8H,4-7,9H2,1-2H3
InChIKeyNVJMIBYMKVPHAY-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.80
Rot. Bonds2

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

1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine (PubChem CID 763355) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine
PubChem CID763355
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1CN1CCN(C)CC1
InChIInChI=1S/C11H18N2S/c1-10-3-8-14-11(10)9-13-6-4-12(2)5-7-13/h3,8H,4-7,9H2,1-2H3
InChIKeyNVJMIBYMKVPHAY-UHFFFAOYSA-N
XLogP1.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine (CID 763355) is 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine is Cc1ccsc1CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is NVJMIBYMKVPHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-10-3-8-14-11(10)9-13-6-4-12(2)5-7-13/h3,8H,4-7,9H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine?
1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 210.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 763355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).