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[1-(2-Aminoethyl)piperidin-4-yl] (4-fluorophenyl) ketone

HCID 3019268
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
83763-22-8
Standard SMILES
NCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIKey
VWLIPIMEJFEFNR-UHFFFAOYSA-N
Molecular formula
C14H19FN2O
Average molar mass
250.31 g/mol
Monoisotopic mass
250.1481414

Names & identifiers

Preferred name
[1-(2-Aminoethyl)piperidin-4-yl] (4-fluorophenyl) ketone
IUPAC
[1-(2-aminoethyl)piperidin-4-yl]-(4-fluorophenyl)methanone
English name
[1-(2-aminoethyl)piperidin-4-yl] (4-fluorophenyl) ketone
Molecular formula
C14H19FN2O
Molecular weight
250.3118632

Names & synonyms

83763-22-8[1-(2-Aminoethyl)piperidin-4-yl] (4-fluorophenyl) ketone(1-(2-Aminoethyl)piperidin-4-yl) (4-fluorophenyl) ketone[1-(2-Aminoethyl)piperidin-4-yl](4-fluorophenyl)methanoneEINECS 280-706-5SCHEMBL9229261DTXSID20232609MFCD34808524SY412104NS000587171-(2-aminoethyl)-4-p-fluorobenzoylpiperidine[1-(2-aminoethyl)-4-piperidinyl](4-fluorophenyl)methanone
Show more names
2-ethylamine[1-(2-Aminoethyl)-4-piperidinyl](4-fluorophenyl) ketone

Database identifiers

CAS
83763-22-8
PubChem CID
3019268
DTXSID
DTXSID20232609
EC Number
280-706-5
Nikkaji
J296.189J

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
46.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
269

Related reactions

5 records
New reaction record
HRID 835181 reaction equation
HRID 835181As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 978450 reaction equation
HRID 978450As reactantuspto-grants-1987_05
HRID 1144532 reaction equation
HRID 1144532As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1231646 reaction equation
HRID 1231646As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1709630 reaction equation
HRID 1709630As reactantuspto-grants-1990_08

Compound notes

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