1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine

C22H21F2N3 — CID 21186192

IUPAC1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccc(F)cc4)CC3)c2)cc1
InChIInChI=1S/C22H21F2N3/c23-20-3-1-18(2-4-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-7-5-21(24)6-8-22/h1-8,13-15H,9-12,16H2
InChIKeyINZGZBABHYINRR-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine

1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine (PubChem CID 21186192) has the molecular formula C22H21F2N3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine
PubChem CID21186192
Molecular FormulaC22H21F2N3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccc(F)cc4)CC3)c2)cc1
InChIInChI=1S/C22H21F2N3/c23-20-3-1-18(2-4-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-7-5-21(24)6-8-22/h1-8,13-15H,9-12,16H2
InChIKeyINZGZBABHYINRR-UHFFFAOYSA-N
XLogP4.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine (CID 21186192) is 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine is Fc1ccc(-c2cncc(CN3CCN(c4ccc(F)cc4)CC3)c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is INZGZBABHYINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3/c23-20-3-1-18(2-4-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-7-5-21(24)6-8-22/h1-8,13-15H,9-12,16H2.
What are the key properties of 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine has a molecular weight of 365.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 21186192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).