1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

C18H19Cl2FN2 — CID 22194716

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19Cl2FN2/c19-17-6-3-15(11-18(17)20)13-23-9-7-22(8-10-23)12-14-1-4-16(21)5-2-14/h1-6,11H,7-10,12-13H2
InChIKeyYAMMMOSZRZUNJB-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.45
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 22194716) has the molecular formula C18H19Cl2FN2 and a molecular weight of 353.27 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID22194716
Molecular FormulaC18H19Cl2FN2
Molecular Weight353.27 g/mol
Exact Mass352.09
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C18H19Cl2FN2/c19-17-6-3-15(11-18(17)20)13-23-9-7-22(8-10-23)12-14-1-4-16(21)5-2-14/h1-6,11H,7-10,12-13H2
InChIKeyYAMMMOSZRZUNJB-UHFFFAOYSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-(2-bromoethyl)-4-[(3,4-dichlorophenyl)methyl]piperazine
CID 80674464
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
4-[(3,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 2957495
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
(3,4-dichlorophenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23879138
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19295103
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 22194716) is 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is YAMMMOSZRZUNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2/c19-17-6-3-15(11-18(17)20)13-23-9-7-22(8-10-23)12-14-1-4-16(21)5-2-14/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 353.27 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 22194716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).