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

C17H26N2S — CID 79223937

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine
SMILESCC1(C)CN(CC2Cc3ccccc3S2)C(C)(C)CN1
InChIInChI=1S/C17H26N2S/c1-16(2)12-19(17(3,4)11-18-16)10-14-9-13-7-5-6-8-15(13)20-14/h5-8,14,18H,9-12H2,1-4H3
InChIKeyALZFCDJYKLGMCF-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.17
Rot. Bonds2

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

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine (PubChem CID 79223937) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine
PubChem CID79223937
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine
SMILESCC1(C)CN(CC2Cc3ccccc3S2)C(C)(C)CN1
InChIInChI=1S/C17H26N2S/c1-16(2)12-19(17(3,4)11-18-16)10-14-9-13-7-5-6-8-15(13)20-14/h5-8,14,18H,9-12H2,1-4H3
InChIKeyALZFCDJYKLGMCF-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine
CID 79224349
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
CID 102745315
2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine
CID 79206754
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
CID 79228477
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 79206434
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine
CID 79452464
2-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-methylpiperazine
CID 79205844
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine (CID 79223937) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine is CC1(C)CN(CC2Cc3ccccc3S2)C(C)(C)CN1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine?
The InChIKey is ALZFCDJYKLGMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-16(2)12-19(17(3,4)11-18-16)10-14-9-13-7-5-6-8-15(13)20-14/h5-8,14,18H,9-12H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine has a molecular weight of 290.48 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine is sourced from PubChem (CID 79223937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).