| CAS Number | 946681-41-0 |
| Catalog Number | AG01A79W(AGN-PC-0WO1OB) |
| Chemical Name | 4-(3-methylbutoxy)piperidine |
| IUPAC Name | 4-(3-methylbutoxy)piperidine |
| InChI | InChI=1S/C10H21NO/c1-9(2)5-8-12-10-3-6-11-7-4-10/h9-11H,3-8H2,1-2H3 |
| InChI Key | HDGNPCZXESPYLE-UHFFFAOYSA-N |
| MDL Number | MFCD08687952 |
| Molecular Formula | C10H21NO |
| Molecular Weight | 171.2798 |
| SMILES | CC(CCOC1CCNCC1)C |
| Synonyms | 4-(3-methylbutoxy)piperidine,
946681-41-0,
4-(ISOPENTYLOXY)PIPERIDINE,
SCHEMBL3793194,
4-(3-methyl-butoxy)-piperidine,
HDGNPCZXESPYLE-UHFFFAOYSA-N,
ZINC14631872,
AKOS000170585,
4-(isopentyloxy)piperidine, AldrichCPR,
MCULE-7881788676,
NE31232,
SC-36661,
BB 0253784,
AB01002299-01,
4-(ISOPENTYLOXY)PIPERIDINE HYDROCHLORIDE,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.284g/mol |
| Monoisotopic Mass | 171.162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number