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Chemical ID: 6129995
Chemical ID:
6129995
Name [?]:
1-[2-(2-butylphenoxy)ethyl]piperidine
SMILES [?]:
CCCCc1ccccc1OCCN2CCCCC2
InChi [?]:
InChI=1/C17H27NO/c1-2-3-9-16-10-5-6-11-17(16)19-15-14-18-12-7-4-8-13-18/h5-6,10-11H,2-4,7-9,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,7,8,16,18,4,6,9,15,19,13,12,5,10,14,11/E:(7,8)(12,13)/rA:19nCCCCCCCCCCOCCNCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56099 |
Area: | 491.277 |
Solvation: | -2.72092 |
Coulombic: | -14.1867 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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