5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine

C14H24N2S — CID 64847641

IUPAC5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccsc2)C(C)CN1
InChIInChI=1S/C14H24N2S/c1-4-11(2)14-9-16(12(3)7-15-14)8-13-5-6-17-10-13/h5-6,10-12,14-15H,4,7-9H2,1-3H3
InChIKeyLHUYKWPDVCJPPZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.96
Rot. Bonds4

About 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine

5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64847641) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64847641
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccsc2)C(C)CN1
InChIInChI=1S/C14H24N2S/c1-4-11(2)14-9-16(12(3)7-15-14)8-13-5-6-17-10-13/h5-6,10-12,14-15H,4,7-9H2,1-3H3
InChIKeyLHUYKWPDVCJPPZ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-7-methyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869370
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061
5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64847638
4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine
CID 114112242
2-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64936642
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 102879595
3-butan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64858412
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine (CID 64847641) is 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine is CCC(C)C1CN(Cc2ccsc2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is LHUYKWPDVCJPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-11(2)14-9-16(12(3)7-15-14)8-13-5-6-17-10-13/h5-6,10-12,14-15H,4,7-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine?
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 252.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64847641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).