| CAS Number | 147636-51-9 |
| Catalog Number | AG019P3E(AGN-PC-0LWTQD) |
| Chemical Name | 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic Acid |
| IUPAC Name | 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C17H17NO3/c19-16(18-10-8-13(9-11-18)17(20)21)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,20,21) |
| InChI Key | XAEDBDNELKMGIZ-UHFFFAOYSA-N |
| MDL Number | MFCD07690526 |
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.3218 |
| SMILES | OC(C1CCN(C(C2=C3C(C=CC=C3)=CC=C2)=O)CC1)=O |
| Synonyms | 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic Acid,
1-(1-naphthoyl)piperidine-4-carboxylic acid,
147636-51-9,
AC1OFLXR,
MLS001172802,
AC1Q74L1,
SCHEMBL7312898,
CHEMBL1587040,
CTK7I9975,
HMS2891O08,
ZINC4218989,
AKOS000199415,
MCULE-4327966949,
NE37936,
SMR000595038,
EN300-18559,
Z85886128,
1-[(naphthalen-1-yl)carbonyl]piperidine-4-carboxylic acid,
CID7131654,
|
| Complexity | 401 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number