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Chemical ID: 6687669
Chemical ID:
6687669
Name [?]:
1-[2-methyl-3-(4-tert-butylphenyl)-propyl]piperidine
SMILES [?]:
CC(Cc1ccc(cc1)C(C)(C)C)CN2CCCCC2
InChi [?]:
InChI=1/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,12,13,18,17,19,5,9,6,8,16,20,3,14,2,4,7,10,15/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:20cCCCCCCCCCCCCCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s10;s2;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5348 |
Area: | 500.07 |
Solvation: | -0.966897 |
Coulombic: | -8.44144 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.456 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.27 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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