1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone

C21H25FN2O — CID 58138663

IUPAC1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone
SMILESCN1CCC(N(C)c2cccc(CC(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H25FN2O/c1-23-12-10-19(11-13-23)24(2)20-5-3-4-16(14-20)15-21(25)17-6-8-18(22)9-7-17/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyFCESQSRHPPXXPB-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone

1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone (PubChem CID 58138663) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone
PubChem CID58138663
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone
SMILESCN1CCC(N(C)c2cccc(CC(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H25FN2O/c1-23-12-10-19(11-13-23)24(2)20-5-3-4-16(14-20)15-21(25)17-6-8-18(22)9-7-17/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyFCESQSRHPPXXPB-UHFFFAOYSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone (CID 58138663) is 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone is CN1CCC(N(C)c2cccc(CC(=O)c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
The InChIKey is FCESQSRHPPXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-23-12-10-19(11-13-23)24(2)20-5-3-4-16(14-20)15-21(25)17-6-8-18(22)9-7-17/h3-9,14,19H,10-13,15H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone?
1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone has a molecular weight of 340.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 58138663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).