Basic information
- CAS
1207853-10-8- Standard SMILES
O=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](O)C1- InChIKey
HNBFJUNWIWJEJJ-NEPJUHHUSA-N- Molecular formula
- C13H16FNO3
- Average molar mass
- 253.27 g/mol
- Monoisotopic mass
- 253.11142153
Names & identifiers
- Preferred name
- Benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
- IUPAC
- benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
- English name
- benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
- Molecular formula
- C13H16FNO3
- Molecular weight
- 253.27
Names & synonyms
1207853-10-8BENZYL (3S,4R)-4-FLUORO-3-HYDROXYPIPERIDINE-1-CARBOXYLATE1932224-33-3cis-Benzyl 4-fluoro-3-hydroxypiperidine-1-carboxylatecis-1-Cbz-4-fluoropiperidin-3-olcis-4-Fluoro-3-hydroxy-piperidine-1-carboxylic acid benzyl esterSCHEMBL376836AKOS015900784BS-41701SY351080CS-0035944I81344
Show more names
benzyl (3R,4S)-rel-4-fluoro-3-hydroxypiperidine-1-carboxylaterel-Benzyl (3R,4S)-4-fluoro-3-hydroxy-1-piperidinecarboxylaterel-Phenylmethyl (3R,4S)-4-fluoro-3-hydroxy-1-piperidinecarboxylateCis-4-Fluoro-3-Hydroxy-Piperidine-1-Carboxylic Acid Benzyl Ester(WX642085)(3R,4S)-rel-4-Fluoro-3-hydroxy-1-piperidinecarboxylic acid phenylmethyl ester1-Piperidinecarboxylic acid, 4-fluoro-3-hydroxy-, phenylmethyl ester, (3R,4S)-rel-
W10545cis-Benzyl4-fluoro-3-hydroxypiperidine-1-carboxylatebenzyl (3S,4R)-4-fluoro-3-hydroxy-piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-fluoro-3-hydroxy-, phenylmethyl ester, (3S,4R)-
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 393.38 · 393.380±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.26 · 1.26
- storage temp.
- Store at room temperature
- pka
- 13.57 · 13.570±0.40(predicted)
- Appearance
- Colorless to off-white Solid-liquid mixture
Chemistry & industry
Suppliers10 total
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
宁波苯康基石医药科技有限公司15990591583
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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