1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine

C17H26N2S — CID 79224036

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C17H26N2S/c1-13(2)9-15-11-18-7-8-19(15)12-16-10-14-5-3-4-6-17(14)20-16/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyIJHGWYFZZYDNMM-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine (PubChem CID 79224036) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine
PubChem CID79224036
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C17H26N2S/c1-13(2)9-15-11-18-7-8-19(15)12-16-10-14-5-3-4-6-17(14)20-16/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyIJHGWYFZZYDNMM-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine 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-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
CID 79222902
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 79206645
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
2-(chloromethyl)-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 79223787
2-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64846847
2-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 45072806
2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine
CID 112546747
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
2-(4-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79224341
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine (CID 79224036) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine is CC(C)CC1CNCCN1CC1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine?
The InChIKey is IJHGWYFZZYDNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-13(2)9-15-11-18-7-8-19(15)12-16-10-14-5-3-4-6-17(14)20-16/h3-6,13,15-16,18H,7-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine has a molecular weight of 290.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 79224036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).