| CAS Number | 160296-41-3 |
| Catalog Number | AG00HYLC(AGN-PC-0Q7VG6) |
| Chemical Name | tert-butyl 4-((4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3 |
| InChI Key | UPXBKNVHTILOPR-UHFFFAOYSA-N |
| MDL Number | MFCD11041269 |
| Molecular Formula | C17H24FNO3 |
| Molecular Weight | 309.3758 |
| SMILES | CC(OC(N1CCC(C(C2=CC=C(F)C=C2)O)CC1)=O)(C)C |
| Synonyms | 160296-41-3,
tert-butyl 4-((4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate,
tert-butyl 4-[(4-fluorophenyl)(hydroxy)methyl]piperidine-1-carboxylate,
tert-Butyl 4-((4-fluorophenyl)(hydroxy)-methyl)piperidine-1-carboxylate,
SCHEMBL4393991,
UPXBKNVHTILOPR-UHFFFAOYSA-N,
MFCD11041269,
AKOS017174642,
CS-W001459,
1-Boc-4-((4-fluorophenyl)(hydroxy)methyl)piperidine,
Z235449356,
t-Butyl 4-((4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate,
tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 4-[(4-fluorophenyl)hydroxymethyl]-,1,1-dimethylethyl ester,
CID10614840,
Tert-butyl 4-[(4-fluorophenyl)-hydroxy-methyl]piperidine-1-carboxylate,
4-[(4-fluorophenyl)hydroxymethyl]piperidine-1-carboxylic acid tert-butyl ester,
74420-02-3,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.381g/mol |
| Monoisotopic Mass | 309.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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