1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C26H23F3N2 — CID 2244842

IUPAC1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)c1
InChIInChI=1S/C26H23F3N2/c27-26(28,29)21-8-5-9-22(17-21)31-14-12-30(13-15-31)18-25-23-10-3-1-6-19(23)16-20-7-2-4-11-24(20)25/h1-11,16-17H,12-15,18H2
InChIKeyKNLCQLMFRRESDA-UHFFFAOYSA-N
MW420.48 g/mol
LogP6.33
Rot. Bonds3

About 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 2244842) has the molecular formula C26H23F3N2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID2244842
Molecular FormulaC26H23F3N2
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)c1
InChIInChI=1S/C26H23F3N2/c27-26(28,29)21-8-5-9-22(17-21)31-14-12-30(13-15-31)18-25-23-10-3-1-6-19(23)16-20-7-2-4-11-24(20)25/h1-11,16-17H,12-15,18H2
InChIKeyKNLCQLMFRRESDA-UHFFFAOYSA-N
XLogP6.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135569887
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199925
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22199130
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22762653
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565

Frequently Asked Questions

What is the IUPAC name of 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 2244842) is 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)c1.
What is the InChIKey of 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is KNLCQLMFRRESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2/c27-26(28,29)21-8-5-9-22(17-21)31-14-12-30(13-15-31)18-25-23-10-3-1-6-19(23)16-20-7-2-4-11-24(20)25/h1-11,16-17H,12-15,18H2.
What are the key properties of 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 420.48 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2244842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).