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Chemical ID: 4359076
Chemical ID:
4359076
Name [?]:
1-(3-methyl-1-piperidyl)-3-(3,3,5-trimethylcyclohexoxy)-propan-2-ol
SMILES [?]:
CC1CCCN(C1)CC(COC2CC(CC(C2)(C)C)C)O
InChi [?]:
InChI=1/C18H35NO2/c1-14-6-5-7-19(11-14)12-16(20)13-21-17-8-15(2)9-18(3,4)10-17/h14-17,20H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,18,19,4,3,5,13,15,17,7,8,10,2,14,9,12,16,6,21,11/E:(3,4)/rA:21cCCCCCNCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s16;s14;s9;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H35NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 9.08869 |
Area: | 533.511 |
Solvation: | -4.24909 |
Coulombic: | -30.7078 |
Bond Count [?]
All: | 22 |
Single: | 22 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.476 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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