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

C17H18ClFN2 — CID 763409

IUPAC1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H18ClFN2/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17-8-4-3-7-16(17)19/h1-8H,9-13H2
InChIKeyYDLMKPHKCINHJR-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.80
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 763409) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
PubChem CID763409
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H18ClFN2/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17-8-4-3-7-16(17)19/h1-8H,9-13H2
InChIKeyYDLMKPHKCINHJR-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-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine (CID 763409) is 1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is YDLMKPHKCINHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c18-15-6-2-1-5-14(15)13-20-9-11-21(12-10-20)17-8-4-3-7-16(17)19/h1-8H,9-13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine?
1-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)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-[(2-chlorophenyl)methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).