| CAS Number | 250275-23-1 |
| Catalog Number | AG00BN2C(AGN-PC-0R0RAQ) |
| Chemical Name | Trans-tert-butyl (4-methylpiperidin-3-yl)carbamate |
| IUPAC Name | tert-butyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate |
| InChI | InChI=1S/C11H22N2O2/c1-8-5-6-12-7-9(8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m1/s1 |
| InChI Key | SBAAVGHNGCRJNY-RKDXNWHRSA-N |
| MDL Number | MFCD28119120 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.3046 |
| SMILES | C[C@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C |
| Synonyms | trans-tert-Butyl (4-methylpiperidin-3-yl)carbamate,
250275-23-1,
TERT-BUTYL N-[(3S,4R)-4-METHYLPIPERIDIN-3-YL]CARBAMATE,
tert-butyl N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate,
SCHEMBL1468729,
SBAAVGHNGCRJNY-RKDXNWHRSA-N,
1821828-53-8,
MFCD28119120,
ZINC39093804,
SB23217,
SB23218,
KS-0000078C,
CS-0036010,
tert-butyl trans-4-methylpiperidin-3-ylcarbamate,
tert-butyl N-[(3S,4R)-rel-4-methylpiperidin-3-yl]carbamate,
250275-22-0,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.309g/mol |
| Monoisotopic Mass | 214.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number