| CAS Number | 875159-68-5 |
| Catalog Number | AG019P3J |
| Chemical Name | 1-(Naphthalene-1-carbonyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C17H17NO3/c19-16(18-10-4-7-13(11-18)17(20)21)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,20,21) |
| InChI Key | RGSKNHMJQAGCOC-UHFFFAOYSA-N |
| MDL Number | MFCD07838450 |
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.3218 |
| SMILES | OC(C1CN(C(C2=C3C(C=CC=C3)=CC=C2)=O)CCC1)=O |
| Synonyms | 1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid,
1-(1-naphthoyl)piperidine-3-carboxylic acid,
875159-68-5,
AC1Q74HB,
MLS001172800,
SCHEMBL7305700,
CHEMBL1710753,
CTK7I9363,
HMS1733L22,
HMS2891O20,
AKOS000118156,
AKOS017272277,
MCULE-1902827839,
NE13733,
SMR000596161,
EN300-18570,
1-[(naphthalen-1-yl)carbonyl]piperidine-3-carboxylic acid,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.327g/mol |
| Monoisotopic Mass | 283.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number