| CAS Number | 31252-43-4 |
| Catalog Number | AG01BFLB |
| Chemical Name | 4-benzylpiperidine-1-carbonyl chloride |
| IUPAC Name | 4-benzylpiperidine-1-carbonyl chloride |
| InChI | InChI=1S/C13H16ClNO/c14-13(16)15-8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChI Key | LDNVHKQYAWVPKB-UHFFFAOYSA-N |
| MDL Number | MFCD19281929 |
| Molecular Formula | C13H16ClNO |
| Molecular Weight | 237.7252 |
| SMILES | ClC(N1CCC(CC2=CC=CC=C2)CC1)=O |
| Synonyms | 4-benzylpiperidine-1-carbonyl chloride,
31252-43-4,
4-benzylpiperidinylcarbonyl chloride,
SCHEMBL7419173,
LDNVHKQYAWVPKB-UHFFFAOYSA-N,
ZINC62466344,
AKOS017548604,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.727g/mol |
| Monoisotopic Mass | 237.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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