1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine

C17H24N2S — CID 64838953

IUPAC1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine
SMILESCC1(C)CN(Cc2csc3ccccc23)C(C)(C)CN1
InChIInChI=1S/C17H24N2S/c1-16(2)12-19(17(3,4)11-18-16)9-13-10-20-15-8-6-5-7-14(13)15/h5-8,10,18H,9,11-12H2,1-4H3
InChIKeyOLGLMAMINDKQPL-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.86
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine

1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine (PubChem CID 64838953) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine
PubChem CID64838953
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine
SMILESCC1(C)CN(Cc2csc3ccccc23)C(C)(C)CN1
InChIInChI=1S/C17H24N2S/c1-16(2)12-19(17(3,4)11-18-16)9-13-10-20-15-8-6-5-7-14(13)15/h5-8,10,18H,9,11-12H2,1-4H3
InChIKeyOLGLMAMINDKQPL-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 64840548
1-(1-benzothiophen-3-ylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840082
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
1-(1-benzothiophen-3-ylmethyl)-4-bromo-3,3-dimethylpiperidine
CID 112747313
N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 60705134
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64869502
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
CID 79451537
2-[1-(1-benzothiophen-3-ylmethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659440
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
CID 116618456

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine (CID 64838953) is 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine is CC1(C)CN(Cc2csc3ccccc23)C(C)(C)CN1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine?
The InChIKey is OLGLMAMINDKQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-16(2)12-19(17(3,4)11-18-16)9-13-10-20-15-8-6-5-7-14(13)15/h5-8,10,18H,9,11-12H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine?
1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine has a molecular weight of 288.46 g/mol, XLogP of 3.86, 2 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)-2,2,5,5-tetramethylpiperazine is sourced from PubChem (CID 64838953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).