1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine

C15H20N2S — CID 117185318

IUPAC1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine
SMILESCc1ccc2sc(CN3CCN(C)CC3)cc2c1
InChIInChI=1S/C15H20N2S/c1-12-3-4-15-13(9-12)10-14(18-15)11-17-7-5-16(2)6-8-17/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyYSAPPPYITLVSHW-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.96
Rot. Bonds2

About 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine

1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine (PubChem CID 117185318) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine
PubChem CID117185318
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine
SMILESCc1ccc2sc(CN3CCN(C)CC3)cc2c1
InChIInChI=1S/C15H20N2S/c1-12-3-4-15-13(9-12)10-14(18-15)11-17-7-5-16(2)6-8-17/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyYSAPPPYITLVSHW-UHFFFAOYSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-1-benzothiophen-2-yl)methyl]morpholine
CID 117185317
1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine
CID 117176321
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332
1-methyl-4-[3-[5-(trifluoromethyl)-1-benzothiophen-2-yl]propyl]piperazine
CID 170864305
(6S)-1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepane-6-carboxamide
CID 124970979
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
4-(5-methyl-1-benzothiophen-2-yl)morpholine
CID 12539106
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
4-(5-methyl-1-benzothiophen-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 71019257
6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186009
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine (CID 117185318) is 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine is Cc1ccc2sc(CN3CCN(C)CC3)cc2c1.
What is the InChIKey of 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine?
The InChIKey is YSAPPPYITLVSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-3-4-15-13(9-12)10-14(18-15)11-17-7-5-16(2)6-8-17/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine?
1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine has a molecular weight of 260.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methyl-1-benzothiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 117185318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).