1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine

C15H22N2S — CID 79224349

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(CC2Cc3ccccc3S2)CCN1
InChIInChI=1S/C15H22N2S/c1-15(2)11-17(8-7-16-15)10-13-9-12-5-3-4-6-14(12)18-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyWZICLDFVOJSLOB-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.39
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine (PubChem CID 79224349) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine
PubChem CID79224349
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(CC2Cc3ccccc3S2)CCN1
InChIInChI=1S/C15H22N2S/c1-15(2)11-17(8-7-16-15)10-13-9-12-5-3-4-6-14(12)18-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyWZICLDFVOJSLOB-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine
CID 79223937
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
CID 102745315
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine
CID 79206754
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
CID 79223714
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
CID 79228477
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethyl-1,4-diazepane
CID 79224356
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3-dimethyl-1,4-diazepane
CID 79226156
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine (CID 79224349) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine is CC1(C)CN(CC2Cc3ccccc3S2)CCN1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine?
The InChIKey is WZICLDFVOJSLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-15(2)11-17(8-7-16-15)10-13-9-12-5-3-4-6-14(12)18-13/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine has a molecular weight of 262.42 g/mol, XLogP of 2.39, 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)-3,3-dimethylpiperazine is sourced from PubChem (CID 79224349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).