1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine

C16H26N2S — CID 112731206

IUPAC1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
SMILESCC(C)CN1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C16H26N2S/c1-15(2)14-18-10-8-17(9-11-18)12-13-19-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyZRSNQOXBAITYFA-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.05
Rot. Bonds6

About 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine

1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine (PubChem CID 112731206) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
PubChem CID112731206
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
SMILESCC(C)CN1CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C16H26N2S/c1-15(2)14-18-10-8-17(9-11-18)12-13-19-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyZRSNQOXBAITYFA-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine (CID 112731206) is 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine is CC(C)CN1CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine?
The InChIKey is ZRSNQOXBAITYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-15(2)14-18-10-8-17(9-11-18)12-13-19-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine?
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine is sourced from PubChem (CID 112731206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).