1-(4-Isothiocyanatophenyl)-4-(sec-butyl)piperazine

HCID 9856828
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Basic information

Standard SMILES
CCC(C)N1CCN(c2ccc(N=C=S)cc2)CC1
InChIKey
OJWFVOZPZOGVIL-UHFFFAOYSA-N
Molecular formula
C15H21N3S
Average molar mass
275.4 g/mol

Names & identifiers

Preferred name
1-(4-Isothiocyanatophenyl)-4-(sec-butyl)piperazine
IUPAC
1-butan-2-yl-4-(4-isothiocyanatophenyl)piperazine

Names & synonyms

SCHEMBL5741775OJWFVOZPZOGVIL-UHFFFAOYSA-N1-(4 isothiocyanatophenyl)-4-(sec-butyl)piperazine1-(4-isothiocyanatophenyl)-4-(sec-butyl)piperazine

Database identifiers

PubChem CID
9856828

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
50.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

4 records
New reaction record

Compound notes

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