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

C18H18Cl2F2N2 — CID 2804276

IUPAC1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1cccc(Cl)c1CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H18Cl2F2N2/c19-15-3-1-5-17(21)13(15)11-23-7-9-24(10-8-23)12-14-16(20)4-2-6-18(14)22/h1-6H,7-12H2
InChIKeyMDPQIIAGIUBGSB-UHFFFAOYSA-N
MW371.26 g/mol
LogP4.59
Rot. Bonds4

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

1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine (PubChem CID 2804276) has the molecular formula C18H18Cl2F2N2 and a molecular weight of 371.26 g/mol. Its IUPAC name is 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine
PubChem CID2804276
Molecular FormulaC18H18Cl2F2N2
Molecular Weight371.26 g/mol
Exact Mass370.08
IUPAC Name1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESFc1cccc(Cl)c1CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H18Cl2F2N2/c19-15-3-1-5-17(21)13(15)11-23-7-9-24(10-8-23)12-14-16(20)4-2-6-18(14)22/h1-6H,7-12H2
InChIKeyMDPQIIAGIUBGSB-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine?
The IUPAC name of 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine (CID 2804276) is 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine is Fc1cccc(Cl)c1CN1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine?
The InChIKey is MDPQIIAGIUBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F2N2/c19-15-3-1-5-17(21)13(15)11-23-7-9-24(10-8-23)12-14-16(20)4-2-6-18(14)22/h1-6H,7-12H2.
What are the key properties of 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine?
1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine has a molecular weight of 371.26 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-chloro-6-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 2804276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).