1-methyl-4-(5-phenylthiophen-3-yl)piperazine

C15H18N2S — CID 57261916

IUPAC1-methyl-4-(5-phenylthiophen-3-yl)piperazine
SMILESCN1CCN(c2csc(-c3ccccc3)c2)CC1
InChIInChI=1S/C15H18N2S/c1-16-7-9-17(10-8-16)14-11-15(18-12-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyXWRRRPAMYCUJHS-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.17
Rot. Bonds2

About 1-methyl-4-(5-phenylthiophen-3-yl)piperazine

1-methyl-4-(5-phenylthiophen-3-yl)piperazine (PubChem CID 57261916) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-methyl-4-(5-phenylthiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-phenylthiophen-3-yl)piperazine
PubChem CID57261916
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-methyl-4-(5-phenylthiophen-3-yl)piperazine
SMILESCN1CCN(c2csc(-c3ccccc3)c2)CC1
InChIInChI=1S/C15H18N2S/c1-16-7-9-17(10-8-16)14-11-15(18-12-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyXWRRRPAMYCUJHS-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(5-phenylthiophen-3-yl)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-(5-phenylthiophen-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(5-phenylthiophen-3-yl)piperazine (CID 57261916) is 1-methyl-4-(5-phenylthiophen-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-phenylthiophen-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(5-phenylthiophen-3-yl)piperazine is CN1CCN(c2csc(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-methyl-4-(5-phenylthiophen-3-yl)piperazine?
The InChIKey is XWRRRPAMYCUJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-16-7-9-17(10-8-16)14-11-15(18-12-14)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-methyl-4-(5-phenylthiophen-3-yl)piperazine?
1-methyl-4-(5-phenylthiophen-3-yl)piperazine has a molecular weight of 258.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-phenylthiophen-3-yl)piperazine is sourced from PubChem (CID 57261916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).