1-benzyl-4-propylpiperazine-2-thione

C14H20N2S — CID 102416484

IUPAC1-benzyl-4-propylpiperazine-2-thione
SMILESCCCN1CCN(Cc2ccccc2)C(=S)C1
InChIInChI=1S/C14H20N2S/c1-2-8-15-9-10-16(14(17)12-15)11-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeySUKXFQNGYSVXOZ-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.54
Rot. Bonds4

About 1-benzyl-4-propylpiperazine-2-thione

1-benzyl-4-propylpiperazine-2-thione (PubChem CID 102416484) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is 1-benzyl-4-propylpiperazine-2-thione.

Molecular Properties

Compound Name1-benzyl-4-propylpiperazine-2-thione
PubChem CID102416484
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name1-benzyl-4-propylpiperazine-2-thione
SMILESCCCN1CCN(Cc2ccccc2)C(=S)C1
InChIInChI=1S/C14H20N2S/c1-2-8-15-9-10-16(14(17)12-15)11-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeySUKXFQNGYSVXOZ-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-butylpiperazine;ethane
CID 90954358
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-heptylpiperazine
CID 22088087
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
CID 167436677
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzylpyrrolidine;propane
CID 143692089
1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine
CID 18430970
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
1-benzyl-4-methylpiperazine-2,3-dione;ethane
CID 142485528

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propylpiperazine-2-thione?
The IUPAC name of 1-benzyl-4-propylpiperazine-2-thione (CID 102416484) is 1-benzyl-4-propylpiperazine-2-thione.
What is the SMILES notation for 1-benzyl-4-propylpiperazine-2-thione?
The canonical SMILES for 1-benzyl-4-propylpiperazine-2-thione is CCCN1CCN(Cc2ccccc2)C(=S)C1.
What is the InChIKey of 1-benzyl-4-propylpiperazine-2-thione?
The InChIKey is SUKXFQNGYSVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-8-15-9-10-16(14(17)12-15)11-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of 1-benzyl-4-propylpiperazine-2-thione?
1-benzyl-4-propylpiperazine-2-thione has a molecular weight of 248.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propylpiperazine-2-thione is sourced from PubChem (CID 102416484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).