1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine

C17H17Cl2FN2 — CID 750916

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN2/c18-14-6-5-13(15(19)11-14)12-21-7-9-22(10-8-21)17-4-2-1-3-16(17)20/h1-6,11H,7-10,12H2
InChIKeyRXUDBUGURFJWHV-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.45
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine

1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 750916) has the molecular formula C17H17Cl2FN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
PubChem CID750916
Molecular FormulaC17H17Cl2FN2
Molecular Weight339.24 g/mol
Exact Mass338.08
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H17Cl2FN2/c18-14-6-5-13(15(19)11-14)12-21-7-9-22(10-8-21)17-4-2-1-3-16(17)20/h1-6,11H,7-10,12H2
InChIKeyRXUDBUGURFJWHV-UHFFFAOYSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108990215
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-(3,5-dichloropyridin-1-ium-2-yl)-4-(2-fluorophenyl)piperazine
CID 9363085
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 1484776
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 1375727
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 22194447
2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 94722706

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine (CID 750916) is 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is RXUDBUGURFJWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2/c18-14-6-5-13(15(19)11-14)12-21-7-9-22(10-8-21)17-4-2-1-3-16(17)20/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 339.24 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 750916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).