1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C16H23FN2O — CID 43797171

IUPAC1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(C)C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(2)18-8-10-19(11-9-18)13(3)16(20)14-4-6-15(17)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIKZZNAYVQSLPGO-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.42
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one

1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 43797171) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID43797171
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(C)C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(2)18-8-10-19(11-9-18)13(3)16(20)14-4-6-15(17)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIKZZNAYVQSLPGO-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
7-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096262
4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5165870
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
1-(3-fluorophenyl)-2-piperidin-1-ylpropan-1-one
CID 45141805
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 43797171) is 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(C)C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is IKZZNAYVQSLPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(2)18-8-10-19(11-9-18)13(3)16(20)14-4-6-15(17)7-5-14/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 43797171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).