1-(2-methylsulfanylphenyl)-3-phenylpiperazine

C17H20N2S — CID 107646407

IUPAC1-(2-methylsulfanylphenyl)-3-phenylpiperazine
SMILESCSc1ccccc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H20N2S/c1-20-17-10-6-5-9-16(17)19-12-11-18-15(13-19)14-7-3-2-4-8-14/h2-10,15,18H,11-13H2,1H3
InChIKeyDGTALWYXVOFNKA-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-methylsulfanylphenyl)-3-phenylpiperazine

1-(2-methylsulfanylphenyl)-3-phenylpiperazine (PubChem CID 107646407) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-phenylpiperazine
PubChem CID107646407
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-(2-methylsulfanylphenyl)-3-phenylpiperazine
SMILESCSc1ccccc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H20N2S/c1-20-17-10-6-5-9-16(17)19-12-11-18-15(13-19)14-7-3-2-4-8-14/h2-10,15,18H,11-13H2,1H3
InChIKeyDGTALWYXVOFNKA-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 58996610
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
CID 64924315
1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine
CID 107640112
3-cyclopropyl-1-(2-methylsulfanylphenyl)-1,4-diazepane
CID 107646320
1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine
CID 64952389
1-chloro-3-phenylpiperazine
CID 18428014
1-(2,6-dibromophenyl)-3-phenylpiperazine
CID 107603858
1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine
CID 113473072
3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine
CID 64952189
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
1,3-diphenyl-1,4-diazepane
CID 64944093
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylpiperazine?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-phenylpiperazine (CID 107646407) is 1-(2-methylsulfanylphenyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-phenylpiperazine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-phenylpiperazine is CSc1ccccc1N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-phenylpiperazine?
The InChIKey is DGTALWYXVOFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-20-17-10-6-5-9-16(17)19-12-11-18-15(13-19)14-7-3-2-4-8-14/h2-10,15,18H,11-13H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)-3-phenylpiperazine?
1-(2-methylsulfanylphenyl)-3-phenylpiperazine has a molecular weight of 284.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-phenylpiperazine is sourced from PubChem (CID 107646407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).