1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine

C20H22N2S — CID 21315886

IUPAC1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine
SMILESCCN1CCN(c2c(-c3ccccc3)sc3ccccc23)CC1
InChIInChI=1S/C20H22N2S/c1-2-21-12-14-22(15-13-21)19-17-10-6-7-11-18(17)23-20(19)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyVFRMMDKIGIGENA-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.71
Rot. Bonds3

About 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine

1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine (PubChem CID 21315886) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine
PubChem CID21315886
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine
SMILESCCN1CCN(c2c(-c3ccccc3)sc3ccccc23)CC1
InChIInChI=1S/C20H22N2S/c1-2-21-12-14-22(15-13-21)19-17-10-6-7-11-18(17)23-20(19)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyVFRMMDKIGIGENA-UHFFFAOYSA-N
XLogP4.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-(2-phenyl-1-benzothiophen-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

Related Compounds

Btcp
CID 123692
4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
N-(3-methyl-1-benzothiophen-2-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 66907634
1-(1-Benzothiophen-3-yl)piperidine
CID 281089
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11660289
N-methyl-N-phenyldibenzothiophen-2-amine
CID 90181893
3-N-methyl-3-N-phenyl-1-benzothiophene-2,3-diamine;hydrochloride
CID 117698391
N3-(2-Ethylphenyl) benzo[b] thiophene-2,3-diamine hydrochloride
CID 117698826
Piperazine, 1-(4-dibenzothienylmethyl)-4-methyl-, hydrochloride, hydrate (1:2:1)
CID 209388
(1)Benzothieno(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-(4-methylphenyl)-4-phenyl-, hydrochloride
CID 3053929
1-(1-Benzothiophen-3-yl)-4-methylpiperazine
CID 11447613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine?
The IUPAC name of 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine (CID 21315886) is 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine.
What is the SMILES notation for 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine?
The canonical SMILES for 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine is CCN1CCN(c2c(-c3ccccc3)sc3ccccc23)CC1.
What is the InChIKey of 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine?
The InChIKey is VFRMMDKIGIGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-2-21-12-14-22(15-13-21)19-17-10-6-7-11-18(17)23-20(19)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine?
1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine has a molecular weight of 322.48 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine is sourced from PubChem (CID 21315886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).