2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine

C17H24N2S — CID 79206754

IUPAC2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine
SMILESCC1(C2CC2)CNCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C17H24N2S/c1-17(14-6-7-14)12-18-8-9-19(17)11-15-10-13-4-2-3-5-16(13)20-15/h2-5,14-15,18H,6-12H2,1H3
InChIKeyATTNGCOVQBVOET-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.78
Rot. Bonds3

About 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine

2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine (PubChem CID 79206754) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine
PubChem CID79206754
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine
SMILESCC1(C2CC2)CNCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C17H24N2S/c1-17(14-6-7-14)12-18-8-9-19(17)11-15-10-13-4-2-3-5-16(13)20-15/h2-5,14-15,18H,6-12H2,1H3
InChIKeyATTNGCOVQBVOET-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-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

Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine
CID 79224349
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine
CID 79223937
2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845627
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methylpropyl)piperazine
CID 79224036
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
CID 79228477
2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine
CID 64844633
2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64845825
2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491560
2-cyclopropyl-2-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 103141179
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
CID 102745315
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine?
The IUPAC name of 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine (CID 79206754) is 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine is CC1(C2CC2)CNCCN1CC1Cc2ccccc2S1.
What is the InChIKey of 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine?
The InChIKey is ATTNGCOVQBVOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-17(14-6-7-14)12-18-8-9-19(17)11-15-10-13-4-2-3-5-16(13)20-15/h2-5,14-15,18H,6-12H2,1H3.
What are the key properties of 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine?
2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine is sourced from PubChem (CID 79206754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).