1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine

C19H22F2N2 — CID 782319

IUPAC1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H22F2N2/c1-14-3-4-15(2)19(11-14)23-9-7-22(8-10-23)13-16-12-17(20)5-6-18(16)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyNNAWWJOUSCALAS-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.90
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine

1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine (PubChem CID 782319) has the molecular formula C19H22F2N2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
PubChem CID782319
Molecular FormulaC19H22F2N2
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(Cc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H22F2N2/c1-14-3-4-15(2)19(11-14)23-9-7-22(8-10-23)13-16-12-17(20)5-6-18(16)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyNNAWWJOUSCALAS-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bamipine
CID 72075
Depramine
CID 67534
LY-165163
CID 121930
Phenbenzamine
CID 13751
Phenbenzamine hydrochloride
CID 24180706
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-4-phenylpiperazine
CID 511484
N-Benzyl-N-ethyl-m-toluidine
CID 67076
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
GW791343
CID 9848160
1,6-Bis(4-m-tolylpiperazin-1-yl)hexane
CID 11669239
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine (CID 782319) is 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(Cc3cc(F)ccc3F)CC2)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is NNAWWJOUSCALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2/c1-14-3-4-15(2)19(11-14)23-9-7-22(8-10-23)13-16-12-17(20)5-6-18(16)21/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine?
1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 316.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 782319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).