1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine

C17H18ClFN2 — CID 763171

IUPAC1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClFN2/c18-15-5-7-16(8-6-15)21-11-9-20(10-12-21)13-14-3-1-2-4-17(14)19/h1-8H,9-13H2
InChIKeyXCNNYFCGHTYRNS-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.80
Rot. Bonds3

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

1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine (PubChem CID 763171) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine
PubChem CID763171
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClFN2/c18-15-5-7-16(8-6-15)21-11-9-20(10-12-21)13-14-3-1-2-4-17(14)19/h1-8H,9-13H2
InChIKeyXCNNYFCGHTYRNS-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine (CID 763171) is 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine is Fc1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is XCNNYFCGHTYRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-15-5-7-16(8-6-15)21-11-9-20(10-12-21)13-14-3-1-2-4-17(14)19/h1-8H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine has a molecular weight of 304.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 763171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).