Chemical ID: 4359076

CC1CCCN(C1)CC(COC2CC(CC(C2)(C)C)C)O
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

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Descriptor Annotations

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