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

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

ID: Reference10947

Other Names: 4-Piperidineacetic acid, 1-(cyclopropylcarbonyl)-3-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336633

Formula: C23H32FN3O3

Spectral Data

[(3R,4S)-1-(Cyclopropylcarbonyl)-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 1
No. of Spectra 824
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:33:12 AM
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Identificators

InChI InChI=1S/C23H32FN3O3/c24-20-3-5-21(6-4-20)26-13-11-25(12-14-26)9-7-19-16-27(23(30)17-1-2-17)10-8-18(19)15-22(28)29/h3-6,17-19H,1-2,7-16H2,(H,28,29)/t18-,19-/m0/s1
InChI Key KLQFMMYGOPTKFJ-OALUTQOASA-N
Canonical SMILES C1CC1C(=O)N2CCC(C(C2)CCN3CCN(CC3)C4=CC=C(C=C4)F)CC(=O)O
CAS
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Other Names 4-Piperidineacetic acid, 1-(cyclopropylcarbonyl)-3-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-, (3R,4S)-;
NAT14-336633

In Other Databases

PubChem 28959922
ChemSpider 22806350