1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C27H31F3N2O — CID 3841599

IUPAC1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCCCOc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C27H31F3N2O/c28-27(29,30)23-11-8-12-24(21-23)32-18-16-31(17-19-32)15-5-1-2-6-20-33-26-14-7-10-22-9-3-4-13-25(22)26/h3-4,7-14,21H,1-2,5-6,15-20H2
InChIKeyOJWIVBSBUIUCGW-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.62
Rot. Bonds9

About 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 3841599) has the molecular formula C27H31F3N2O and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID3841599
Molecular FormulaC27H31F3N2O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCCCOc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C27H31F3N2O/c28-27(29,30)23-11-8-12-24(21-23)32-18-16-31(17-19-32)15-5-1-2-6-20-33-26-14-7-10-22-9-3-4-13-25(22)26/h3-4,7-14,21H,1-2,5-6,15-20H2
InChIKeyOJWIVBSBUIUCGW-UHFFFAOYSA-N
XLogP6.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.62
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

1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25073254
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(1,3-dihydroisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 11532392
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
1-(2-methoxyethyl)-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 10277233

Frequently Asked Questions

What is the IUPAC name of 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 3841599) is 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(CCCCCCOc3cccc4ccccc34)CC2)c1.
What is the InChIKey of 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is OJWIVBSBUIUCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N2O/c28-27(29,30)23-11-8-12-24(21-23)32-18-16-31(17-19-32)15-5-1-2-6-20-33-26-14-7-10-22-9-3-4-13-25(22)26/h3-4,7-14,21H,1-2,5-6,15-20H2.
What are the key properties of 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 456.55 g/mol, XLogP of 6.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 3841599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).