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1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one

1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one

Formula: C16H23FN2O

SMILES: CC(C)CC(=O)N1CCN(CC2=CC=C(F)C=C2)CC1

IUPAC: 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one

InChI: InChI=1S/C16H23FN2O/c1-13(2)11-16(20)19-9-7-18(8-10-19)12-14-3-5-15(17)6-4-14/h3-6,13H,7-12H2,1-2H3

Composition: C (69.04%), H (8.33%), F (6.82%), N (10.06%), O (5.75%)

Molar Mass: 278.371

Atom Count: 43

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 278.179441532
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OXTLOLKVUMVCLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.91
Topological Polar Surface Area 23.55
Polarizability 30.4
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H23FN2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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