5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine

C17H28N2S — CID 64939151

IUPAC5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine
SMILESCCC(C)C1CN(CCSC)C(c2ccccc2)CN1
InChIInChI=1S/C17H28N2S/c1-4-14(2)16-13-19(10-11-20-3)17(12-18-16)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyHKDOIVWHVATGJM-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.41
Rot. Bonds6

About 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine

5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine (PubChem CID 64939151) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine
PubChem CID64939151
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine
SMILESCCC(C)C1CN(CCSC)C(c2ccccc2)CN1
InChIInChI=1S/C17H28N2S/c1-4-14(2)16-13-19(10-11-20-3)17(12-18-16)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3
InChIKeyHKDOIVWHVATGJM-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-(3-methylbutyl)-2-phenylpiperazine
CID 64849021
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-butan-2-yl-1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936913
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087
1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64840410
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine
CID 64936617
5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
5-benzyl-2-ethyl-1-(2-methylsulfanylethyl)piperazine
CID 64936280
2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926702
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine (CID 64939151) is 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine is CCC(C)C1CN(CCSC)C(c2ccccc2)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine?
The InChIKey is HKDOIVWHVATGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-14(2)16-13-19(10-11-20-3)17(12-18-16)15-8-6-5-7-9-15/h5-9,14,16-18H,4,10-13H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine?
5-butan-2-yl-1-(2-methylsulfanylethyl)-2-phenylpiperazine has a molecular weight of 292.49 g/mol, XLogP of 3.41, 6 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-methylsulfanylethyl)-2-phenylpiperazine is sourced from PubChem (CID 64939151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).