1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine

C12H19ClN2S — CID 64844415

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2S/c1-3-12(2)9-14-6-7-15(12)8-10-4-5-11(13)16-10/h4-5,14H,3,6-9H2,1-2H3
InChIKeyHBQUJMGFDRWIFV-UHFFFAOYSA-N
MW258.82 g/mol
LogP2.98
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine

1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine (PubChem CID 64844415) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine
PubChem CID64844415
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2S/c1-3-12(2)9-14-6-7-15(12)8-10-4-5-11(13)16-10/h4-5,14H,3,6-9H2,1-2H3
InChIKeyHBQUJMGFDRWIFV-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine 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-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine (CID 64844415) is 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine is CCC1(C)CNCCN1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine?
The InChIKey is HBQUJMGFDRWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-3-12(2)9-14-6-7-15(12)8-10-4-5-11(13)16-10/h4-5,14H,3,6-9H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine has a molecular weight of 258.82 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 64844415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).