1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine

C16H22N2S — CID 64832605

IUPAC1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
SMILESCCCC1CN(Cc2csc3ccccc23)CCN1
InChIInChI=1S/C16H22N2S/c1-2-5-14-11-18(9-8-17-14)10-13-12-19-16-7-4-3-6-15(13)16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3
InChIKeyTVBLGENVAGZLPS-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.48
Rot. Bonds4

About 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine

1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine (PubChem CID 64832605) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
PubChem CID64832605
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
SMILESCCCC1CN(Cc2csc3ccccc23)CCN1
InChIInChI=1S/C16H22N2S/c1-2-5-14-11-18(9-8-17-14)10-13-12-19-16-7-4-3-6-15(13)16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3
InChIKeyTVBLGENVAGZLPS-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine 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-(1-benzothiophen-3-ylmethyl)-3-propyl-1,4-diazepane
CID 64871472
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 64840548
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
CID 114500240
1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine
CID 115883147
1-(1-benzothiophen-3-ylmethyl)-3-(2-chloroethyl)pyrrolidine
CID 114800517
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylpiperazine
CID 104795217
1-benzyl-3-butylpiperazine
CID 19353079
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
3-(2-methylsulfanylethyl)-1-(naphthalen-1-ylmethyl)piperazine
CID 24948191
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine (CID 64832605) is 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine is CCCC1CN(Cc2csc3ccccc23)CCN1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine?
The InChIKey is TVBLGENVAGZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-5-14-11-18(9-8-17-14)10-13-12-19-16-7-4-3-6-15(13)16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine?
1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine has a molecular weight of 274.43 g/mol, XLogP of 3.48, 4 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)-3-propylpiperazine is sourced from PubChem (CID 64832605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).