[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone

C21H23FN2O2 — CID 6472277

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
SMILESC=C(C)COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O2/c1-16(2)15-26-18-9-7-17(8-10-18)21(25)24-13-11-23(12-14-24)20-6-4-3-5-19(20)22/h3-10H,1,11-15H2,2H3
InChIKeyVVQATHOSZCTMTQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.74
Rot. Bonds5

About [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone (PubChem CID 6472277) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
PubChem CID6472277
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
SMILESC=C(C)COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O2/c1-16(2)15-26-18-9-7-17(8-10-18)21(25)24-13-11-23(12-14-24)20-6-4-3-5-19(20)22/h3-10H,1,11-15H2,2H3
InChIKeyVVQATHOSZCTMTQ-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 2995080
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
[4-(2-fluorophenyl)piperazin-1-yl]-(4-prop-2-ynoxyphenyl)methanone
CID 6471948
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 40696784
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 1310661
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 172785381
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472543

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone (CID 6472277) is [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone is C=C(C)COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The InChIKey is VVQATHOSZCTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-16(2)15-26-18-9-7-17(8-10-18)21(25)24-13-11-23(12-14-24)20-6-4-3-5-19(20)22/h3-10H,1,11-15H2,2H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone has a molecular weight of 354.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone is sourced from PubChem (CID 6472277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).