1-butylsulfanyl-4-phenylpiperazine

C14H22N2S — CID 91602178

IUPAC1-butylsulfanyl-4-phenylpiperazine
SMILESCCCCSN1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H22N2S/c1-2-3-13-17-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKeyKEAFYXLXPSGOQW-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.26
Rot. Bonds5

About 1-butylsulfanyl-4-phenylpiperazine

1-butylsulfanyl-4-phenylpiperazine (PubChem CID 91602178) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-butylsulfanyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-butylsulfanyl-4-phenylpiperazine
PubChem CID91602178
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-butylsulfanyl-4-phenylpiperazine
SMILESCCCCSN1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H22N2S/c1-2-3-13-17-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKeyKEAFYXLXPSGOQW-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
(E)-N-(4-phenylpiperazin-1-yl)pentan-1-imine
CID 118737749
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
ethoxyethane;1-phenylpiperidine
CID 174883082
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine
CID 78915727
1-(3,5-dimethylphenyl)sulfanyl-4-phenylpiperazine
CID 174815755
N-amino-N'-butyl-4-phenylpiperazine-1-carboximidamide
CID 116512916
1-fluoro-4-phenylpiperazine
CID 23450926
N,N-dibutylaniline;4-phenylmorpholine
CID 159818534
1,2-bis(4-butylphenyl)-4-phenyl-1,2,4-triazolidine
CID 162352103
ethane;methanol;1-phenylpiperidine
CID 177175072

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanyl-4-phenylpiperazine?
The IUPAC name of 1-butylsulfanyl-4-phenylpiperazine (CID 91602178) is 1-butylsulfanyl-4-phenylpiperazine.
What is the SMILES notation for 1-butylsulfanyl-4-phenylpiperazine?
The canonical SMILES for 1-butylsulfanyl-4-phenylpiperazine is CCCCSN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-butylsulfanyl-4-phenylpiperazine?
The InChIKey is KEAFYXLXPSGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-3-13-17-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3.
What are the key properties of 1-butylsulfanyl-4-phenylpiperazine?
1-butylsulfanyl-4-phenylpiperazine has a molecular weight of 250.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanyl-4-phenylpiperazine is sourced from PubChem (CID 91602178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).