CC(C)(C)OC(=O)N1CCC(C(C1)F)NCC2=CC=CC=C2
CAS: 907572-24-1
Name: tert-butyl (3R,4S)-4-(benzylamino)-3-fluoropiperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)F)NCC2=CC=CC=C2

Molecular Processing

Molecular formula
C17H25FN2O2
Molecular weight
308.4
Exact mass
308.19
XLogP
3.12
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
84.39

Supplementary Information

InChIKey: JXBLMDWEOQDVAC-CABCVRRESA-N
Synonyme
907572-24-1SCHEMBL517516cis-tert-butyl 4-(benzylamino)-3-fluoropiperidine-1-carboxylateJXBLMDWEOQDVAC-CABCVRRESA-Ncis-4-benzylamino-1-tert-butoxycarbonyl-3-fluoropiperidinecis-(+)-4-Benzylamino-1-tert-butoxycarbonyl-3-fluoropiperidine(cis)-tert-butyl 4-(benzylamino)-3-fluoropiperidine-1-carboxylatecis(+/-)tert-butyl-4-(benzylamino)-3-fluoropiperidine-1-carboxylateTert-butyl (3R,4S)-4-benzylamino-3-fluoro-piperidine-1-carboxylateTert-butyl(3R,4S)-4-benzylamino-3-fluoro-piperidine-1-carboxylate(+/-)-(cis)-tert-butyl-4-(benzylamino)-3-fluoropiperidine-1-carboxylate(3R,4S)-tert-butyl 4-(benzylamino)-3-fluoropiperidine-1-carboxylatecis(+/-) tert-butyl 4-(benzylamino)-3-fluoropiperidine-1-carboxylatecis-4-benzylamino-3-fluoro-piperidine-1-carboxylic acid tert-butyl ester
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