[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone

C23H21FN2O — CID 1321088

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H21FN2O/c24-21-8-4-5-9-22(21)25-14-16-26(17-15-25)23(27)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyQVWJZSFCDAMJLN-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.46
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 1321088) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID1321088
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H21FN2O/c24-21-8-4-5-9-22(21)25-14-16-26(17-15-25)23(27)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyQVWJZSFCDAMJLN-UHFFFAOYSA-N
XLogP4.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 1321088) is [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is QVWJZSFCDAMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c24-21-8-4-5-9-22(21)25-14-16-26(17-15-25)23(27)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13H,14-17H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 360.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 1321088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).