ChemDB: Chemical Search
Download
Chemical ID: 6048457
Chemical ID:
6048457
Name [?]:
tert-butyl 4-(2-aminoethyl)piperidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(CC1)CCN
InChi [?]:
InChI=1/C12H24N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-9,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,10,12,15,9,13,11,6,2,16,8,7,5/E:(1,2,3)(5,6)(8,9)/rA:16nCCCCOCONCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03497 |
Area: | 426.321 |
Solvation: | -1.62306 |
Coulombic: | -42.101 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.331 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.64 |
LogP (Chemaxon): | 0.87 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|