2-methyl-1-(1-thiophen-2-ylbutyl)piperazine

C13H22N2S — CID 64930120

IUPAC2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
SMILESCCCC(c1cccs1)N1CCNCC1C
InChIInChI=1S/C13H22N2S/c1-3-5-12(13-6-4-9-16-13)15-8-7-14-10-11(15)2/h4,6,9,11-12,14H,3,5,7-8,10H2,1-2H3
InChIKeySHNDXBJSUZQYQG-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.88
Rot. Bonds4

About 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine

2-methyl-1-(1-thiophen-2-ylbutyl)piperazine (PubChem CID 64930120) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
PubChem CID64930120
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
SMILESCCCC(c1cccs1)N1CCNCC1C
InChIInChI=1S/C13H22N2S/c1-3-5-12(13-6-4-9-16-13)15-8-7-14-10-11(15)2/h4,6,9,11-12,14H,3,5,7-8,10H2,1-2H3
InChIKeySHNDXBJSUZQYQG-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 83979376
5-ethyl-2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64946872
2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64930534
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
2,5,5-triethyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64946680
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
CID 66202216
5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64948011
1-(1-methoxypentan-2-yl)-2-methylpiperazine
CID 64931136
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine?
The IUPAC name of 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine (CID 64930120) is 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine.
What is the SMILES notation for 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine?
The canonical SMILES for 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine is CCCC(c1cccs1)N1CCNCC1C.
What is the InChIKey of 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine?
The InChIKey is SHNDXBJSUZQYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-5-12(13-6-4-9-16-13)15-8-7-14-10-11(15)2/h4,6,9,11-12,14H,3,5,7-8,10H2,1-2H3.
What are the key properties of 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine?
2-methyl-1-(1-thiophen-2-ylbutyl)piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-thiophen-2-ylbutyl)piperazine is sourced from PubChem (CID 64930120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).