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

C25H25FN2O3 — CID 46797418

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCCOc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN2O3/c26-20-10-12-21(13-11-20)27-14-16-28(17-15-27)25(29)23-8-4-5-9-24(23)31-19-18-30-22-6-2-1-3-7-22/h1-13H,14-19H2
InChIKeyRYEVRJFMVHXTBT-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.25
Rot. Bonds7

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

[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone (PubChem CID 46797418) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
PubChem CID46797418
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OCCOc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN2O3/c26-20-10-12-21(13-11-20)27-14-16-28(17-15-27)25(29)23-8-4-5-9-24(23)31-19-18-30-22-6-2-1-3-7-22/h1-13H,14-19H2
InChIKeyRYEVRJFMVHXTBT-UHFFFAOYSA-N
XLogP4.25
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112803676
1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
CID 31302453
4-(4-fluorophenyl)-N-(phenoxymethyl)piperazine-1-carboxamide
CID 108888836
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 55333873
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone (CID 46797418) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone is O=C(c1ccccc1OCCOc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone?
The InChIKey is RYEVRJFMVHXTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-20-10-12-21(13-11-20)27-14-16-28(17-15-27)25(29)23-8-4-5-9-24(23)31-19-18-30-22-6-2-1-3-7-22/h1-13H,14-19H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone has a molecular weight of 420.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone is sourced from PubChem (CID 46797418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).