| CAS Number | 3509-15-7 |
| Catalog Number | AG00C8S9(AGN-PC-0WB3UF) |
| Chemical Name | 1-Piperidin-4-ylbutan-1-one |
| IUPAC Name | 1-piperidin-4-ylbutan-1-one |
| InChI | InChI=1S/C9H17NO/c1-2-3-9(11)8-4-6-10-7-5-8/h8,10H,2-7H2,1H3 |
| InChI Key | FLOUMEVOEWHLKB-UHFFFAOYSA-N |
| MDL Number | MFCD09864450 |
| Molecular Formula | C9H17NO |
| Molecular Weight | 155.2374 |
| SMILES | C(CCC)(C1CCNCC1)=O |
| Synonyms | 1-Piperidin-4-ylbutan-1-one,
3509-15-7,
1-(Piperidin-4-yl)butan-1-one,
1-Butanone,1-(4-piperidinyl)-,
SCHEMBL3949885,
1-(4-Piperidinyl)-1-butanone,
CTK4H3540,
DTXSID60590957,
1-Butanone, 1-(4-piperidinyl)-,
MFCD09864450,
ZINC19091550,
AKOS006281670,
AJ-71631,
AS-47753,
DA-18631,
1-Piperidin-4-ylbutan-1-one, AldrichCPR,
FT-0720063,
Y-5798,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.241g/mol |
| Monoisotopic Mass | 155.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number