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Chemical ID: 4349601
Chemical ID:
4349601
Name [?]:
4-methyl-1-[4-(3-methylphenoxy)butyl]piperidine
SMILES [?]:
Cc1cccc(c1)OCCCCN2CCC(CC2)C
InChi [?]:
InChI=1/C17H27NO/c1-15-8-11-18(12-9-15)10-3-4-13-19-17-7-5-6-16(2)14-17/h5-7,14-15H,3-4,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:19,1,11,10,4,3,5,15,17,12,14,18,9,7,16,2,6,13,8/E:(8,9)(11,12)/rA:19nCCCCCCCOCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0992 |
Area: | 495.313 |
Solvation: | -2.28365 |
Coulombic: | -14.4142 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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