[(3R,4S)-1-Acetyl-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-1-Acetyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-yl]acetic acid

ID: Reference9455

Other Names: 4-Piperidineacetic acid, 1-acetyl-3-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336626

Formula: C21H30FN3O3

Spectral Data

[(3R,4S)-1-Acetyl-3-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-4-piperidinyl]acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2568
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2020 11:55:58 AM
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Identificators

InChI InChI=1S/C21H30FN3O3/c1-16(26)25-9-7-17(14-21(27)28)18(15-25)6-8-23-10-12-24(13-11-23)20-4-2-19(22)3-5-20/h2-5,17-18H,6-15H2,1H3,(H,27,28)/t17-,18-/m0/s1
InChI Key UVDQTGYCTUCDMH-ROUUACIJSA-N
Canonical SMILES CC(=O)N1CCC(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)O
CAS
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Other Names 4-Piperidineacetic acid, 1-acetyl-3-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336626

In Other Databases

PubChem 25313352
ChemSpider 21384518