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Chemical ID: 7514827
Chemical ID:
7514827
Name [?]:
1-[4-(5-isopropyl-2-methyl-phenoxy)butyl]piperidine
SMILES [?]:
Cc1ccc(cc1OCCCCN2CCCCC2)C(C)C
InChi [?]:
InChI=1/C19H31NO/c1-16(2)18-10-9-17(3)19(15-18)21-14-8-7-13-20-11-5-4-6-12-20/h9-10,15-16H,4-8,11-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,16,15,17,11,10,3,4,14,18,12,9,6,19,2,5,7,13,8/E:(1,2)(5,6)(11,12)/rA:21nCCCCCCCOCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s5;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31NO |
All Atoms: | 52 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2949 |
Area: | 539.318 |
Solvation: | -2.18807 |
Coulombic: | -14.6827 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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