1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine

C14H20N2S — CID 155458897

IUPAC1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine
SMILESCc1ccc(N2CCN(C)CC2)c2c1CSC2
InChIInChI=1S/C14H20N2S/c1-11-3-4-14(13-10-17-9-12(11)13)16-7-5-15(2)6-8-16/h3-4H,5-10H2,1-2H3
InChIKeyBGILXLJLHPBUNB-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.49
Rot. Bonds1

About 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine

1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine (PubChem CID 155458897) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine
PubChem CID155458897
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine
SMILESCc1ccc(N2CCN(C)CC2)c2c1CSC2
InChIInChI=1S/C14H20N2S/c1-11-3-4-14(13-10-17-9-12(11)13)16-7-5-15(2)6-8-16/h3-4H,5-10H2,1-2H3
InChIKeyBGILXLJLHPBUNB-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-5,8-bis(4-methylpiperazin-1-yl)anthracene-9,10-dione
CID 11133817
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
3-methyl-4-(4-methylpiperazin-1-yl)benzoic acid
CID 62121474
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
1-(2,3-dihydro-1H-inden-4-yl)-4-methylpiperazine
CID 59726261
(3R)-N,8-dimethyl-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine;(3R)-8-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine
CID 160895817
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
CID 24762774
4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18622549
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(2-ethyl-4-methylphenyl)-4-methylpiperazine
CID 70652133

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine?
The IUPAC name of 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine (CID 155458897) is 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine?
The canonical SMILES for 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine is Cc1ccc(N2CCN(C)CC2)c2c1CSC2.
What is the InChIKey of 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine?
The InChIKey is BGILXLJLHPBUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11-3-4-14(13-10-17-9-12(11)13)16-7-5-15(2)6-8-16/h3-4H,5-10H2,1-2H3.
What are the key properties of 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine?
1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine has a molecular weight of 248.39 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine is sourced from PubChem (CID 155458897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).