1-methyl-2-(3-methylthiophen-2-yl)piperazine

C10H16N2S — CID 116963174

IUPAC1-methyl-2-(3-methylthiophen-2-yl)piperazine
SMILESCc1ccsc1C1CNCCN1C
InChIInChI=1S/C10H16N2S/c1-8-3-6-13-10(8)9-7-11-4-5-12(9)2/h3,6,9,11H,4-5,7H2,1-2H3
InChIKeyANYDHWMUJDCMOY-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.63
Rot. Bonds1

About 1-methyl-2-(3-methylthiophen-2-yl)piperazine

1-methyl-2-(3-methylthiophen-2-yl)piperazine (PubChem CID 116963174) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-methyl-2-(3-methylthiophen-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-2-(3-methylthiophen-2-yl)piperazine
PubChem CID116963174
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-methyl-2-(3-methylthiophen-2-yl)piperazine
SMILESCc1ccsc1C1CNCCN1C
InChIInChI=1S/C10H16N2S/c1-8-3-6-13-10(8)9-7-11-4-5-12(9)2/h3,6,9,11H,4-5,7H2,1-2H3
InChIKeyANYDHWMUJDCMOY-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tifacogin
CID 961320
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
N5-methyl-4-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739368
1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
1-(Thien-2-ylmethyl)piperazine
CID 566208
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylthiophen-2-yl)piperazine?
The IUPAC name of 1-methyl-2-(3-methylthiophen-2-yl)piperazine (CID 116963174) is 1-methyl-2-(3-methylthiophen-2-yl)piperazine.
What is the SMILES notation for 1-methyl-2-(3-methylthiophen-2-yl)piperazine?
The canonical SMILES for 1-methyl-2-(3-methylthiophen-2-yl)piperazine is Cc1ccsc1C1CNCCN1C.
What is the InChIKey of 1-methyl-2-(3-methylthiophen-2-yl)piperazine?
The InChIKey is ANYDHWMUJDCMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-3-6-13-10(8)9-7-11-4-5-12(9)2/h3,6,9,11H,4-5,7H2,1-2H3.
What are the key properties of 1-methyl-2-(3-methylthiophen-2-yl)piperazine?
1-methyl-2-(3-methylthiophen-2-yl)piperazine has a molecular weight of 196.32 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylthiophen-2-yl)piperazine is sourced from PubChem (CID 116963174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).