[4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone

C19H19FN2O2 — CID 174532622

IUPAC[4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone
SMILESO=C=C1CN(Cc2ccccc2)CCN1COc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c20-17-6-8-19(9-7-17)24-15-22-11-10-21(13-18(22)14-23)12-16-4-2-1-3-5-16/h1-9H,10-13,15H2
InChIKeyXLZCVUMIQNPIPX-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.70
Rot. Bonds5

About [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone

[4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone (PubChem CID 174532622) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone.

Molecular Properties

Compound Name[4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone
PubChem CID174532622
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone
SMILESO=C=C1CN(Cc2ccccc2)CCN1COc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c20-17-6-8-19(9-7-17)24-15-22-11-10-21(13-18(22)14-23)12-16-4-2-1-3-5-16/h1-9H,10-13,15H2
InChIKeyXLZCVUMIQNPIPX-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone?
The IUPAC name of [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone (CID 174532622) is [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone.
What is the SMILES notation for [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone?
The canonical SMILES for [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone is O=C=C1CN(Cc2ccccc2)CCN1COc1ccc(F)cc1.
What is the InChIKey of [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone?
The InChIKey is XLZCVUMIQNPIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-6-8-19(9-7-17)24-15-22-11-10-21(13-18(22)14-23)12-16-4-2-1-3-5-16/h1-9H,10-13,15H2.
What are the key properties of [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone?
[4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone has a molecular weight of 326.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-1-[(4-fluorophenoxy)methyl]piperazin-2-ylidene]methanone is sourced from PubChem (CID 174532622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).