| CAS Number | 259180-79-5 |
| Catalog Number | AG00BL4K(AGN-PC-0WNGE8) |
| Chemical Name | [1-(2-Amino-ethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]carbamate |
| InChI | InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-10-4-7-15(8-5-10)9-6-13/h10H,4-9,13H2,1-3H3,(H,14,16) |
| InChI Key | OKJWSGAHIGPUIG-UHFFFAOYSA-N |
| MDL Number | MFCD18373985 |
| Molecular Formula | C12H25N3O2 |
| Molecular Weight | 243.3458 |
| SMILES | CC(C)(C)OC(=O)NC1CCN(CC1)CCN |
| Synonyms | 259180-79-5,
tert-Butyl (1-(2-aminoethyl)piperidin-4-yl)carbamate,
[1-(2-Amino-ethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester,
1-(2-Aminoethyl)-4-(Boc-amino)piperidine,
SCHEMBL7222795,
KS-00000LRR,
OKJWSGAHIGPUIG-UHFFFAOYSA-N,
MFCD18373985,
ZINC79408306,
AKOS012937618,
AK413892,
AM100587,
DS-18700,
2-[4-(Boc-amino)-1-piperidyl]ethylamine,
tert-butyl 1-(2-aminoethyl)-4-piperidinylcarbamate,
tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]carbamate,
[1-(2-aminoethyl)piperidin-4-yl]carbamic acid tert-butyl ester,
1,1-Dimethylethyl [1-(2-aminoethyl)-4-piperidinyl]carbamate,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.351g/mol |
| Monoisotopic Mass | 243.195g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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