| CAS Number | 435270-83-0 |
| Catalog Number | AG00DIXI(AGN-PC-0LUC6S) |
| Chemical Name | 3-(4-Benzylpiperidin-1-yl)propanoic acid |
| IUPAC Name | 3-(4-benzylpiperidin-1-yl)propanoic acid |
| InChI | InChI=1S/C15H21NO2/c17-15(18)8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,18) |
| InChI Key | ITMUQTABMZRAAP-UHFFFAOYSA-N |
| MDL Number | MFCD07790302 |
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.3327 |
| SMILES | C(C1=CC=CC=C1)C1CCN(CC1)CCC(=O)O |
| Synonyms | 3-(4-Benzyl-piperidin-1-yl)-propionic acid,
435270-83-0,
3-(4-benzylpiperidin-1-yl)propanoic acid,
3-[4-benzylpiperidyl]propanoic acid,
ASN 13259260,
AC1O64NC,
SCHEMBL5969423,
CTK7J4080,
HMS1697K03,
ZINC4998599,
3340AE,
SBB011898,
AKOS000301610,
MCULE-8104472103,
TR-044950,
ST50341935,
C15H21NO2,
CID6494457,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.338g/mol |
| Monoisotopic Mass | 247.157g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number