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4-{1-(4-Fluorophenyl)-2-[4-(naphthalen-1-yl-butyl)piperazin-1-yl]-2-oxoethyl}-1-methylpiperidin-4-ol

HCID 17850657
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC(O)(C(C(=O)N2CCN(CCCCc3cccc4ccccc34)CC2)c2ccc(F)cc2)CC1
InChIKey
HSUPOANEILCPGZ-UHFFFAOYSA-N
Molecular formula
C32H40FN3O2
Average molar mass
517.7 g/mol

Names & identifiers

Preferred name
4-{1-(4-Fluorophenyl)-2-[4-(naphthalen-1-yl-butyl)piperazin-1-yl]-2-oxoethyl}-1-methylpiperidin-4-ol
IUPAC
2-(4-fluorophenyl)-2-(4-hydroxy-1-methylpiperidin-4-yl)-1-[4-(4-naphthalen-1-ylbutyl)piperazin-1-yl]ethanone

Names & synonyms

SCHEMBL6321955HSUPOANEILCPGZ-UHFFFAOYSA-N4-{1-(4-fluorophenyl)-2-[4-(naphthalen-1-yl-butyl)piperazin-1-yl]-2-oxoethyl}-1-methylpiperidin-4-ol

Database identifiers

PubChem CID
17850657

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
47 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Formal charge
0
Complexity
741

Related reactions

4 records
New reaction record
HRID 198846 reaction equation
HRID 198846As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 497342 reaction equation
HRID 497342As productuspto-grants-2005_09
HRID 497343 reaction equation
HRID 497343As reactantuspto-grants-2005_09
HRID 684904 reaction equation
HRID 684904As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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