5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine

C16H34N2S — CID 64937634

IUPAC5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CC(C)CSC)C(C(C)C)CN1
InChIInChI=1S/C16H34N2S/c1-7-14(5)15-10-18(9-13(4)11-19-6)16(8-17-15)12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyAAFIGFDOHRIIHN-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.33
Rot. Bonds7

About 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine (PubChem CID 64937634) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
PubChem CID64937634
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CC(C)CSC)C(C(C)C)CN1
InChIInChI=1S/C16H34N2S/c1-7-14(5)15-10-18(9-13(4)11-19-6)16(8-17-15)12(2)3/h12-17H,7-11H2,1-6H3
InChIKeyAAFIGFDOHRIIHN-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
CID 64849197
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
CID 106440439
5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
CID 115943623
5-butan-2-yl-1-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 79558802
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
5-butan-2-yl-1-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64938181
5-butan-2-yl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64939021
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine (CID 64937634) is 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine is CCC(C)C1CN(CC(C)CSC)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is AAFIGFDOHRIIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-7-14(5)15-10-18(9-13(4)11-19-6)16(8-17-15)12(2)3/h12-17H,7-11H2,1-6H3.
What are the key properties of 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 286.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).