1-methyl-4-(5-methylthiophen-3-yl)piperazine

C10H16N2S — CID 57000768

IUPAC1-methyl-4-(5-methylthiophen-3-yl)piperazine
SMILESCc1cc(N2CCN(C)CC2)cs1
InChIInChI=1S/C10H16N2S/c1-9-7-10(8-13-9)12-5-3-11(2)4-6-12/h7-8H,3-6H2,1-2H3
InChIKeyLIMYLRXBKWCKII-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.81
Rot. Bonds1

About 1-methyl-4-(5-methylthiophen-3-yl)piperazine

1-methyl-4-(5-methylthiophen-3-yl)piperazine (PubChem CID 57000768) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-methyl-4-(5-methylthiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-methylthiophen-3-yl)piperazine
PubChem CID57000768
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-methyl-4-(5-methylthiophen-3-yl)piperazine
SMILESCc1cc(N2CCN(C)CC2)cs1
InChIInChI=1S/C10H16N2S/c1-9-7-10(8-13-9)12-5-3-11(2)4-6-12/h7-8H,3-6H2,1-2H3
InChIKeyLIMYLRXBKWCKII-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thenalidine
CID 27901
Methaphenilene
CID 10306
1-(2-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763194
1-Phenyl-4-(thiophen-2-ylmethyl)piperazine
CID 763343
1-(4-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763625
(4-Phenylpiperazin-1-yl)-thiophen-2-ylmethanethione
CID 269705
Methaphenilene Hydrochloride
CID 9904279
1-Phenyl-4-(3-thienylmethyl)piperazine
CID 764679
N-methyl-N-phenylthiophen-3-amine
CID 70651686
1-(2,4-Difluorophenyl)-4-thiophen-3-ylpiperazine
CID 69278616
N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 121009843
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)aniline
CID 134926463

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylthiophen-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(5-methylthiophen-3-yl)piperazine (CID 57000768) is 1-methyl-4-(5-methylthiophen-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-methylthiophen-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(5-methylthiophen-3-yl)piperazine is Cc1cc(N2CCN(C)CC2)cs1.
What is the InChIKey of 1-methyl-4-(5-methylthiophen-3-yl)piperazine?
The InChIKey is LIMYLRXBKWCKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-9-7-10(8-13-9)12-5-3-11(2)4-6-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(5-methylthiophen-3-yl)piperazine?
1-methyl-4-(5-methylthiophen-3-yl)piperazine has a molecular weight of 196.32 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylthiophen-3-yl)piperazine is sourced from PubChem (CID 57000768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).