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1-(4-Chlorobenzoyl)-1-(4-methylpiperazin-1-yl)-cyclopropane

HCID 13711684
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCN(C2(C(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey
ICAVGCOGHLIYKZ-UHFFFAOYSA-N
Molecular formula
C15H19ClN2O
Average molar mass
278.78 g/mol
Monoisotopic mass
278.1185909

Names & identifiers

Preferred name
1-(4-Chlorobenzoyl)-1-(4-methylpiperazin-1-yl)-cyclopropane
IUPAC
(4-chlorophenyl)-[1-(4-methylpiperazin-1-yl)cyclopropyl]methanone

Names & synonyms

SCHEMBL9719575ICAVGCOGHLIYKZ-UHFFFAOYSA-N1-(4-chlorobenzoyl)-1-(4-methylpiperazin-1-yl)-cyclopropane

Database identifiers

PubChem CID
13711684

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
340

Related reactions

4 records
New reaction record
HRID 704524 reaction equation
HRID 704524As productuspto-grants-1991_01
HRID 933819 reaction equation
HRID 933819As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1534665 reaction equation
HRID 1534665As productuspto-grants-1992_02
HRID 1649636 reaction equation
HRID 1649636As productuspto-grants-1990_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes