5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine

C15H25ClN2S — CID 64850155

IUPAC5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(Cl)s2)C(CC)CN1
InChIInChI=1S/C15H25ClN2S/c1-4-11(3)14-10-18(12(5-2)8-17-14)9-13-6-7-15(16)19-13/h6-7,11-12,14,17H,4-5,8-10H2,1-3H3
InChIKeyJXFFUMZHBMHXCN-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.00
Rot. Bonds5

About 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine

5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine (PubChem CID 64850155) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
PubChem CID64850155
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(Cl)s2)C(CC)CN1
InChIInChI=1S/C15H25ClN2S/c1-4-11(3)14-10-18(12(5-2)8-17-14)9-13-6-7-15(16)19-13/h6-7,11-12,14,17H,4-5,8-10H2,1-3H3
InChIKeyJXFFUMZHBMHXCN-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838073
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
CID 64847871
5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
CID 102620685
1-[2-(5-bromothiophen-2-yl)ethyl]-5-butan-2-yl-2-ethylpiperazine
CID 106043969
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
CID 64937935
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162
5-butan-2-yl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65490972
5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 64936261

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine (CID 64850155) is 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine is CCC(C)C1CN(Cc2ccc(Cl)s2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine?
The InChIKey is JXFFUMZHBMHXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-4-11(3)14-10-18(12(5-2)8-17-14)9-13-6-7-15(16)19-13/h6-7,11-12,14,17H,4-5,8-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine?
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine has a molecular weight of 300.90 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine is sourced from PubChem (CID 64850155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).