3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one

C15H21FN2O2 — CID 91068364

IUPAC3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-17-7-9-18(10-8-17)15(19)6-11-20-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3
InChIKeyPUQKAMUYQKJLCQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.51
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one

3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 91068364) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID91068364
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCOCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-17-7-9-18(10-8-17)15(19)6-11-20-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3
InChIKeyPUQKAMUYQKJLCQ-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139306
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
1-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 53150603
4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110605887
4-methyl-1-[2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 178062981
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533747
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 166478742
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110629304
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 59354971
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one (CID 91068364) is 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCOCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is PUQKAMUYQKJLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17-7-9-18(10-8-17)15(19)6-11-20-12-13-2-4-14(16)5-3-13/h2-5H,6-12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 91068364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).