1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane

C19H34N2S — CID 90692795

IUPAC1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
SMILESCC.CC(C)(C)SCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2S.C2H6/c1-17(2,3)20-14-13-18-9-11-19(12-10-18)15-16-7-5-4-6-8-16;1-2/h4-8H,9-15H2,1-3H3;1-2H3
InChIKeyAUKDUJPKGCQFGM-UHFFFAOYSA-N
MW322.56 g/mol
LogP4.36
Rot. Bonds5

About 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane

1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane (PubChem CID 90692795) has the molecular formula C19H34N2S and a molecular weight of 322.56 g/mol. Its IUPAC name is 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane.

Molecular Properties

Compound Name1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
PubChem CID90692795
Molecular FormulaC19H34N2S
Molecular Weight322.56 g/mol
Exact Mass322.24
IUPAC Name1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
SMILESCC.CC(C)(C)SCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2S.C2H6/c1-17(2,3)20-14-13-18-9-11-19(12-10-18)15-16-7-5-4-6-8-16;1-2/h4-8H,9-15H2,1-3H3;1-2H3
InChIKeyAUKDUJPKGCQFGM-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-tert-butylpiperazine
CID 3591937
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-butylpiperazine;ethane
CID 90954358
5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
CID 139898949
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-heptylpiperazine
CID 22088087
1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine
CID 18430970
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane?
The IUPAC name of 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane (CID 90692795) is 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane.
What is the SMILES notation for 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane?
The canonical SMILES for 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane is CC.CC(C)(C)SCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane?
The InChIKey is AUKDUJPKGCQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S.C2H6/c1-17(2,3)20-14-13-18-9-11-19(12-10-18)15-16-7-5-4-6-8-16;1-2/h4-8H,9-15H2,1-3H3;1-2H3.
What are the key properties of 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane?
1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane has a molecular weight of 322.56 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane is sourced from PubChem (CID 90692795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).