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

C23H27F4N3 — CID 23724031

IUPAC1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine
SMILESFc1ccccc1N1CCN(C2CCCN(Cc3ccccc3C(F)(F)F)C2)CC1
InChIInChI=1S/C23H27F4N3/c24-21-9-3-4-10-22(21)30-14-12-29(13-15-30)19-7-5-11-28(17-19)16-18-6-1-2-8-20(18)23(25,26)27/h1-4,6,8-10,19H,5,7,11-17H2
InChIKeyNIWJHOACEBTURZ-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.63
Rot. Bonds4

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

1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine (PubChem CID 23724031) has the molecular formula C23H27F4N3 and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine
PubChem CID23724031
Molecular FormulaC23H27F4N3
Molecular Weight421.48 g/mol
Exact Mass421.21
IUPAC Name1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine
SMILESFc1ccccc1N1CCN(C2CCCN(Cc3ccccc3C(F)(F)F)C2)CC1
InChIInChI=1S/C23H27F4N3/c24-21-9-3-4-10-22(21)30-14-12-29(13-15-30)19-7-5-11-28(17-19)16-18-6-1-2-8-20(18)23(25,26)27/h1-4,6,8-10,19H,5,7,11-17H2
InChIKeyNIWJHOACEBTURZ-UHFFFAOYSA-N
XLogP4.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine (CID 23724031) is 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine is Fc1ccccc1N1CCN(C2CCCN(Cc3ccccc3C(F)(F)F)C2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
The InChIKey is NIWJHOACEBTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F4N3/c24-21-9-3-4-10-22(21)30-14-12-29(13-15-30)19-7-5-11-28(17-19)16-18-6-1-2-8-20(18)23(25,26)27/h1-4,6,8-10,19H,5,7,11-17H2.
What are the key properties of 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine?
1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine has a molecular weight of 421.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 23724031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).