1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine

C18H38N2S — CID 134582849

IUPAC1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine
SMILESCC(CC(C)SC(C)(C)C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H38N2S/c1-15(13-16(2)21-18(6,7)8)14-19-9-11-20(12-10-19)17(3,4)5/h15-16H,9-14H2,1-8H3
InChIKeySIDRAALLKKOUPV-UHFFFAOYSA-N
MW314.58 g/mol
LogP4.35
Rot. Bonds5

About 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine

1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine (PubChem CID 134582849) has the molecular formula C18H38N2S and a molecular weight of 314.58 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine
PubChem CID134582849
Molecular FormulaC18H38N2S
Molecular Weight314.58 g/mol
Exact Mass314.28
IUPAC Name1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine
SMILESCC(CC(C)SC(C)(C)C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H38N2S/c1-15(13-16(2)21-18(6,7)8)14-19-9-11-20(12-10-19)17(3,4)5/h15-16H,9-14H2,1-8H3
InChIKeySIDRAALLKKOUPV-UHFFFAOYSA-N
XLogP4.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine (CID 134582849) is 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine is CC(CC(C)SC(C)(C)C)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine?
The InChIKey is SIDRAALLKKOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2S/c1-15(13-16(2)21-18(6,7)8)14-19-9-11-20(12-10-19)17(3,4)5/h15-16H,9-14H2,1-8H3.
What are the key properties of 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine?
1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine has a molecular weight of 314.58 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine is sourced from PubChem (CID 134582849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).