| CAS Number | 440100-15-2 |
| Catalog Number | AG00DIKC(AGN-PC-0RS5V9) |
| Chemical Name | Tert-butyl 4-(3-cyanopyridin-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-cyanopyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19-9-7-18(8-10-19)13-12(11-16)5-4-6-17-13/h4-6H,7-10H2,1-3H3 |
| InChI Key | NLEQQMQLJYJBEF-UHFFFAOYSA-N |
| MDL Number | MFCD09607537 |
| Molecular Formula | C15H20N4O2 |
| Molecular Weight | 288.3449 |
| SMILES | CC(OC(N1CCN(C2=C(C#N)C=CC=N2)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-(3-cyanopyridin-2-yl)piperazine-1-carboxylate,
440100-15-2,
4-(3-Cyano-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester,
tert-butyl 4-(3-cyano-2-pyridinyl)-1-piperazinecarboxylate,
AC1Q1N66,
SCHEMBL3538823,
NLEQQMQLJYJBEF-UHFFFAOYSA-N,
SBB075507,
ZINC39955717,
AKOS015918137,
MCULE-2939286243,
NE18067,
AJ-101440,
DB-070503,
ST2402066,
FT-0750680,
EN300-69488,
I14-8005,
tert-butyl 4-(3-cyano-2-pyridyl)piperazinecarboxylate,
Z219419136,
tert-Butyl4-(3-cyano-2-pyridinyl)-1-piperazinecarboxylate,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.351g/mol |
| Monoisotopic Mass | 288.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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