1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine

C18H19Cl2FN2 — CID 22195534

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H19Cl2FN2/c19-16-5-3-6-17(20)15(16)13-23-10-8-22(9-11-23)12-14-4-1-2-7-18(14)21/h1-7H,8-13H2
InChIKeyCGNUBYONJPXSPZ-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.45
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine

1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine (PubChem CID 22195534) has the molecular formula C18H19Cl2FN2 and a molecular weight of 353.27 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
PubChem CID22195534
Molecular FormulaC18H19Cl2FN2
Molecular Weight353.27 g/mol
Exact Mass352.09
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H19Cl2FN2/c19-16-5-3-6-17(20)15(16)13-23-10-8-22(9-11-23)12-14-4-1-2-7-18(14)21/h1-7H,8-13H2
InChIKeyCGNUBYONJPXSPZ-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-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
CID 80674131
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911
1-(2-chloroethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane
CID 63387643
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
2-(2-chloro-6-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142509
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine (CID 22195534) is 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine is Fc1ccccc1CN1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is CGNUBYONJPXSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2/c19-16-5-3-6-17(20)15(16)13-23-10-8-22(9-11-23)12-14-4-1-2-7-18(14)21/h1-7H,8-13H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
1-[(2,6-dichlorophenyl)methyl]-4-[(2-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-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 22195534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).