1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine

C22H21F2N3 — CID 21186115

IUPAC1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccccc4F)CC3)c2)cc1
InChIInChI=1S/C22H21F2N3/c23-20-7-5-18(6-8-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-4-2-1-3-21(22)24/h1-8,13-15H,9-12,16H2
InChIKeyYQZMYCFYXGYDEA-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine

1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine (PubChem CID 21186115) has the molecular formula C22H21F2N3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine
PubChem CID21186115
Molecular FormulaC22H21F2N3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4ccccc4F)CC3)c2)cc1
InChIInChI=1S/C22H21F2N3/c23-20-7-5-18(6-8-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-4-2-1-3-21(22)24/h1-8,13-15H,9-12,16H2
InChIKeyYQZMYCFYXGYDEA-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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Related Compounds

Pheniramine
CID 4761
Azatadine
CID 19861
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3-Diphenylpyrazine
CID 243907
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
BC-1215
CID 72201045
Anabasamine
CID 161313
Benzylviologen
CID 14196
1-(5-Phenylpyridin-3-yl)-1,4-diazepane
CID 10777277
1-Methyl-2-(3-pyridyl)piperidine
CID 29758
2,2'-((Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl)bis(methylene))bis(N,N-dimethylbenzenamine)
CID 421610

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine (CID 21186115) is 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine is Fc1ccc(-c2cncc(CN3CCN(c4ccccc4F)CC3)c2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is YQZMYCFYXGYDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3/c23-20-7-5-18(6-8-20)19-13-17(14-25-15-19)16-26-9-11-27(12-10-26)22-4-2-1-3-21(22)24/h1-8,13-15H,9-12,16H2.
What are the key properties of 1-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine?
1-(2-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-(2-fluorophenyl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 21186115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).