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Chemical ID: 4665700
Chemical ID:
4665700
Name [?]:
4-(4-chlorophenyl)-1-tert-butyl-piperidine
SMILES [?]:
CC(C)(C)N1CCC(CC1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H22ClN/c1-15(2,3)17-10-8-13(9-11-17)12-4-6-14(16)7-5-12/h4-7,13H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,16,13,15,7,9,6,10,11,8,14,2,17,5/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:17nCCCCNCCCCCCCCCCCCl/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClN |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0197 |
Area: | 440.326 |
Solvation: | -0.988461 |
Coulombic: | -7.50875 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.795 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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