1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine

C23H28F3N3 — CID 23723699

IUPAC1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine
SMILESFC(F)(F)c1ccccc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H28F3N3/c24-23(25,26)22-11-5-4-7-19(22)17-27-12-6-10-21(18-27)29-15-13-28(14-16-29)20-8-2-1-3-9-20/h1-5,7-9,11,21H,6,10,12-18H2
InChIKeyAYORWNBJHCSFHE-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.49
Rot. Bonds4

About 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine

1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine (PubChem CID 23723699) has the molecular formula C23H28F3N3 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine
PubChem CID23723699
Molecular FormulaC23H28F3N3
Molecular Weight403.49 g/mol
Exact Mass403.22
IUPAC Name1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine
SMILESFC(F)(F)c1ccccc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C23H28F3N3/c24-23(25,26)22-11-5-4-7-19(22)17-27-12-6-10-21(18-27)29-15-13-28(14-16-29)20-8-2-1-3-9-20/h1-5,7-9,11,21H,6,10,12-18H2
InChIKeyAYORWNBJHCSFHE-UHFFFAOYSA-N
XLogP4.49
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine (CID 23723699) is 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine is FC(F)(F)c1ccccc1CN1CCCC(N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
The InChIKey is AYORWNBJHCSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3/c24-23(25,26)22-11-5-4-7-19(22)17-27-12-6-10-21(18-27)29-15-13-28(14-16-29)20-8-2-1-3-9-20/h1-5,7-9,11,21H,6,10,12-18H2.
What are the key properties of 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine has a molecular weight of 403.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 23723699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).