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Chemical ID: 4224554
Chemical ID:
4224554
Name [?]:
1-[2-(4-isopropylphenoxy)ethyl]piperidine
SMILES [?]:
CC(C)c1ccc(cc1)OCCN2CCCCC2
InChi [?]:
InChI=1/C16H25NO/c1-14(2)15-6-8-16(9-7-15)18-13-12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,5,9,6,8,14,18,12,11,2,4,7,13,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCCCOCCNCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78201 |
Area: | 463.627 |
Solvation: | -2.80866 |
Coulombic: | -13.6752 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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