2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine

C17H26N2S — CID 79223831

IUPAC2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine
SMILESCC1(C)CN(CCSc2ccccc2)C(C2CC2)CN1
InChIInChI=1S/C17H26N2S/c1-17(2)13-19(16(12-18-17)14-8-9-14)10-11-20-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyIZJOVIQNIYYKQU-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine

2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine (PubChem CID 79223831) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine
PubChem CID79223831
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine
SMILESCC1(C)CN(CCSc2ccccc2)C(C2CC2)CN1
InChIInChI=1S/C17H26N2S/c1-17(2)13-19(16(12-18-17)14-8-9-14)10-11-20-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyIZJOVIQNIYYKQU-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine?
The IUPAC name of 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine (CID 79223831) is 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine is CC1(C)CN(CCSc2ccccc2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine?
The InChIKey is IZJOVIQNIYYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-17(2)13-19(16(12-18-17)14-8-9-14)10-11-20-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine?
2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine has a molecular weight of 290.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine is sourced from PubChem (CID 79223831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).