1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

C18H19F4N3 — CID 171690633

IUPAC1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3cccnc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C18H19F4N3/c19-16-5-3-14(4-6-16)12-24-8-10-25(11-9-24)13-15-2-1-7-23-17(15)18(20,21)22/h1-7H,8-13H2
InChIKeyHLABPPQKKQGRSD-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.56
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (PubChem CID 171690633) has the molecular formula C18H19F4N3 and a molecular weight of 353.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
PubChem CID171690633
Molecular FormulaC18H19F4N3
Molecular Weight353.36 g/mol
Exact Mass353.15
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3cccnc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C18H19F4N3/c19-16-5-3-14(4-6-16)12-24-8-10-25(11-9-24)13-15-2-1-7-23-17(15)18(20,21)22/h1-7H,8-13H2
InChIKeyHLABPPQKKQGRSD-UHFFFAOYSA-N
XLogP3.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (CID 171690633) is 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is Fc1ccc(CN2CCN(Cc3cccnc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is HLABPPQKKQGRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3/c19-16-5-3-14(4-6-16)12-24-8-10-25(11-9-24)13-15-2-1-7-23-17(15)18(20,21)22/h1-7H,8-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine has a molecular weight of 353.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 171690633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).