| CAS Number | 108958-36-7 |
| Catalog Number | AG007BNS(AGN-PC-05WHAD) |
| Chemical Name | 2-(3-Methoxy-benzyl)-piperidine |
| IUPAC Name | 2-[(3-methoxyphenyl)methyl]piperidine |
| InChI | InChI=1S/C13H19NO/c1-15-13-7-4-5-11(10-13)9-12-6-2-3-8-14-12/h4-5,7,10,12,14H,2-3,6,8-9H2,1H3 |
| InChI Key | CHHYHKDNUNRTRY-UHFFFAOYSA-N |
| MDL Number | MFCD02663630 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | COC1=CC(CC2NCCCC2)=CC=C1 |
| Synonyms | 2-(3-Methoxy-benzyl)-piperidine,
108958-36-7,
2-(3-Methoxybenzyl)piperidine,
2-[(3-methoxyphenyl)methyl]piperidine,
AC1NCG6V,
SCHEMBL3347513,
CTK4A6254,
DTXSID10404015,
BP065,
MFCD02663630,
AKOS011517940,
AB12082,
OR307738,
RT-007047,
T6158,
CID4533232,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number