2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine

C14H22N2S — CID 64937414

IUPAC2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
SMILESCC1CN(C2CCCc3sccc32)C(C)CN1
InChIInChI=1S/C14H22N2S/c1-10-9-16(11(2)8-15-10)13-4-3-5-14-12(13)6-7-17-14/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3
InChIKeyZSEPBELYMWRRMY-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.81
Rot. Bonds1

About 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine

2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine (PubChem CID 64937414) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
PubChem CID64937414
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
SMILESCC1CN(C2CCCc3sccc32)C(C)CN1
InChIInChI=1S/C14H22N2S/c1-10-9-16(11(2)8-15-10)13-4-3-5-14-12(13)6-7-17-14/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3
InChIKeyZSEPBELYMWRRMY-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 62842394
2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
CID 64940772
4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208678
[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)azetidin-3-yl]oxidanium
CID 142063120
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,5-dimethylpiperazine
CID 79374347
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 62840592
3-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
CID 64953584
(4aS,7aS)-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678811
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62840248
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidine-4-carboxylic acid
CID 114278739
8-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62843533
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine (CID 64937414) is 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine is CC1CN(C2CCCc3sccc32)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The InChIKey is ZSEPBELYMWRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-9-16(11(2)8-15-10)13-4-3-5-14-12(13)6-7-17-14/h6-7,10-11,13,15H,3-5,8-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine has a molecular weight of 250.41 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine is sourced from PubChem (CID 64937414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).