1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine

C19H23F3N2S — CID 162666016

IUPAC1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(CCCCc3cccs3)CC2)cc1
InChIInChI=1S/C19H23F3N2S/c20-19(21,22)16-6-8-17(9-7-16)24-13-11-23(12-14-24)10-2-1-4-18-5-3-15-25-18/h3,5-9,15H,1-2,4,10-14H2
InChIKeyWELLYILKSVJXTN-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.91
Rot. Bonds6

About 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine

1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 162666016) has the molecular formula C19H23F3N2S and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID162666016
Molecular FormulaC19H23F3N2S
Molecular Weight368.47 g/mol
Exact Mass368.15
IUPAC Name1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(CCCCc3cccs3)CC2)cc1
InChIInChI=1S/C19H23F3N2S/c20-19(21,22)16-6-8-17(9-7-16)24-13-11-23(12-14-24)10-2-1-4-18-5-3-15-25-18/h3,5-9,15H,1-2,4,10-14H2
InChIKeyWELLYILKSVJXTN-UHFFFAOYSA-N
XLogP4.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 12965114
4-(4-methylphenyl)-N-[(E)-(3-methyl-2-thienyl)methylidene]-1-piperazinamine
CID 5727608
4-(4-methylphenyl)-N-[(E)-2-thienylmethylidene]-1-piperazinamine
CID 5727642
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza-dibenzo[e,g]azulene
CID 13048194
3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza-dibenzo[e,g]azulene
CID 13048195
Nadh-IN-1
CID 71519596
Timelotem
CID 65844
1-(2-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763194
1-Phenyl-4-(2-thienylmethyl)piperazine
CID 763343
Cambridge id 5260799
CID 763625

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine (CID 162666016) is 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(N2CCN(CCCCc3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is WELLYILKSVJXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2S/c20-19(21,22)16-6-8-17(9-7-16)24-13-11-23(12-14-24)10-2-1-4-18-5-3-15-25-18/h3,5-9,15H,1-2,4,10-14H2.
What are the key properties of 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 368.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-ylbutyl)-4-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 162666016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).