2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine

C15H20N2S — CID 116856563

IUPAC2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine
SMILESCN1CCN(C)C(C)(c2csc3ccccc23)C1
InChIInChI=1S/C15H20N2S/c1-15(11-16(2)8-9-17(15)3)13-10-18-14-7-5-4-6-12(13)14/h4-7,10H,8-9,11H2,1-3H3
InChIKeyFTNCDPBVYMSRPZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.99
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine

2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine (PubChem CID 116856563) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine
PubChem CID116856563
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine
SMILESCN1CCN(C)C(C)(c2csc3ccccc23)C1
InChIInChI=1S/C15H20N2S/c1-15(11-16(2)8-9-17(15)3)13-10-18-14-7-5-4-6-12(13)14/h4-7,10H,8-9,11H2,1-3H3
InChIKeyFTNCDPBVYMSRPZ-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-1,2,4-trimethylpiperazine
CID 116856569
4-(1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
CID 6984428
3-methyl-1-benzothiophene;zinc
CID 70563074
1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 122158370
tert-butyl 4-(1-benzothiophen-3-yl)-4-hydroxypiperidine-1-carboxylate
CID 71512889
1-(1-benzothiophen-3-ylmethyl)-4-bromo-3,3-dimethylpiperidine
CID 112747313
(3R)-3-(1-benzothiophen-2-yl)-1,3-dimethylpyrrolidine
CID 126704852
1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine
CID 64838953
(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97204222
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
2-(1-benzothiophen-3-yl)-1-methylpyrrole
CID 134861873
2-[3-(1-benzothiophen-3-yl)oxetan-3-yl]butan-1-ol
CID 116875298

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine (CID 116856563) is 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine is CN1CCN(C)C(C)(c2csc3ccccc23)C1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine?
The InChIKey is FTNCDPBVYMSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(11-16(2)8-9-17(15)3)13-10-18-14-7-5-4-6-12(13)14/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine?
2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine has a molecular weight of 260.41 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1,2,4-trimethylpiperazine is sourced from PubChem (CID 116856563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).