1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C18H26N2S — CID 64840082

IUPAC1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1Cc1csc2ccccc12
InChIInChI=1S/C18H26N2S/c1-13(2)16-9-19-18(3,4)12-20(16)10-14-11-21-17-8-6-5-7-15(14)17/h5-8,11,13,16,19H,9-10,12H2,1-4H3
InChIKeyFPDAWGFJFBMCLZ-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.11
Rot. Bonds3

About 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64840082) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64840082
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1Cc1csc2ccccc12
InChIInChI=1S/C18H26N2S/c1-13(2)16-9-19-18(3,4)12-20(16)10-14-11-21-17-8-6-5-7-15(14)17/h5-8,11,13,16,19H,9-10,12H2,1-4H3
InChIKeyFPDAWGFJFBMCLZ-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine 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-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64840082) is 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is FPDAWGFJFBMCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13(2)16-9-19-18(3,4)12-20(16)10-14-11-21-17-8-6-5-7-15(14)17/h5-8,11,13,16,19H,9-10,12H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 302.49 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64840082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).