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Chemical ID: 4277330
Chemical ID:
4277330
Name [?]:
(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-(1-piperidyl)propanoate
SMILES [?]:
CN1C2CCC1CC(C2)OC(=O)CCN3CCCCC3
InChi [?]:
InChI=1/C16H28N2O2/c1-17-13-5-6-14(17)12-15(11-13)20-16(19)7-10-18-8-3-2-4-9-18/h13-15H,2-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,4,5,13,16,20,14,9,7,3,6,8,11,2,15,12,10/E:(3,4)(5,6)(8,9)(11,12)(13,14)/rA:20cCNCCCCCCCOCOCCNCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.9858 |
Area: | 486.559 |
Solvation: | -2.17817 |
Coulombic: | -28.0861 |
Bond Count [?]
All: | 22 |
Single: | 21 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.406 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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