| CAS Number | 883530-42-5 |
| Catalog Number | AG00GS7I(AGN-PC-0WO1Z9) |
| Chemical Name | 4-(2-Methylpropoxy)piperidine |
| IUPAC Name | 4-(2-methylpropoxy)piperidine |
| InChI | InChI=1S/C9H19NO/c1-8(2)7-11-9-3-5-10-6-4-9/h8-10H,3-7H2,1-2H3 |
| InChI Key | VQCDOLZOAYIDQJ-UHFFFAOYSA-N |
| MDL Number | MFCD06247834 |
| Molecular Formula | C9H19NO |
| Molecular Weight | 157.2533 |
| SMILES | CC(COC1CCNCC1)C |
| Synonyms | 4-(2-methylpropoxy)piperidine,
4-Isobutoxy-piperidine,
883530-42-5,
4-Isobutoxy-Piperidine Hydrochloride,
4-Isobutoxypiperidine,
AC1Q1PTJ,
AC1Q1PTK,
SCHEMBL1586315,
VQCDOLZOAYIDQJ-UHFFFAOYSA-N,
Piperidine, 4-(2-methylpropoxy)-,
ZINC14806929,
AKOS000187010,
MCULE-3877165782,
NE25440,
EN300-58442,
AB01003800-01,
CID11701188,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.257g/mol |
| Monoisotopic Mass | 157.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number