1-[(4-fluorophenyl)-phenylmethyl]piperazine

C17H19FN2 — CID 2778990

IUPAC1-[(4-fluorophenyl)-phenylmethyl]piperazine
SMILESFc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKeyKKMSCNTZDCYNSC-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.82
Rot. Bonds3

About 1-[(4-fluorophenyl)-phenylmethyl]piperazine

1-[(4-fluorophenyl)-phenylmethyl]piperazine (PubChem CID 2778990) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-phenylmethyl]piperazine
PubChem CID2778990
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-[(4-fluorophenyl)-phenylmethyl]piperazine
SMILESFc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKeyKKMSCNTZDCYNSC-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]piperazine (CID 2778990) is 1-[(4-fluorophenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)-phenylmethyl]piperazine is Fc1ccc(C(c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-phenylmethyl]piperazine?
The InChIKey is KKMSCNTZDCYNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2.
What are the key properties of 1-[(4-fluorophenyl)-phenylmethyl]piperazine?
1-[(4-fluorophenyl)-phenylmethyl]piperazine has a molecular weight of 270.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 2778990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).