1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine

C22H25F2N5 — CID 171389696

IUPAC1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCc1nc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C22H25F2N5/c1-16-25-21(27(2)26-16)15-28-11-13-29(14-12-28)22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,11-15H2,1-2H3
InChIKeySJVQUYGZRQTCSL-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.31
Rot. Bonds5

About 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine

1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine (PubChem CID 171389696) has the molecular formula C22H25F2N5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine
PubChem CID171389696
Molecular FormulaC22H25F2N5
Molecular Weight397.47 g/mol
Exact Mass397.21
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCc1nc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C22H25F2N5/c1-16-25-21(27(2)26-16)15-28-11-13-29(14-12-28)22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,11-15H2,1-2H3
InChIKeySJVQUYGZRQTCSL-UHFFFAOYSA-N
XLogP3.31
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553
1-[bis(4-fluorophenyl)methyl]-4-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 36840528
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402
1-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95311644
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 3490640
2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
CID 71704296
5-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 89474847
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypropan-2-ol
CID 58891222
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 36850979
5-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 5082835

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine (CID 171389696) is 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine is Cc1nc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)n1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine?
The InChIKey is SJVQUYGZRQTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5/c1-16-25-21(27(2)26-16)15-28-11-13-29(14-12-28)22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,11-15H2,1-2H3.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine?
1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine has a molecular weight of 397.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine is sourced from PubChem (CID 171389696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).