1-[4-(4-methylphenyl)sulfanylbutyl]piperazine

C15H24N2S — CID 2944276

IUPAC1-[4-(4-methylphenyl)sulfanylbutyl]piperazine
SMILESCc1ccc(SCCCCN2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-14-4-6-15(7-5-14)18-13-3-2-10-17-11-8-16-9-12-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyOBUAGBRWSIDKKW-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.77
Rot. Bonds6

About 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine

1-[4-(4-methylphenyl)sulfanylbutyl]piperazine (PubChem CID 2944276) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfanylbutyl]piperazine
PubChem CID2944276
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[4-(4-methylphenyl)sulfanylbutyl]piperazine
SMILESCc1ccc(SCCCCN2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-14-4-6-15(7-5-14)18-13-3-2-10-17-11-8-16-9-12-17/h4-7,16H,2-3,8-13H2,1H3
InChIKeyOBUAGBRWSIDKKW-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine?
The IUPAC name of 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine (CID 2944276) is 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine is Cc1ccc(SCCCCN2CCNCC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine?
The InChIKey is OBUAGBRWSIDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-14-4-6-15(7-5-14)18-13-3-2-10-17-11-8-16-9-12-17/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine?
1-[4-(4-methylphenyl)sulfanylbutyl]piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfanylbutyl]piperazine is sourced from PubChem (CID 2944276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).