Chemical ID: 4566513

CC(C)C(CC(=O)N1CCCCC1)c2ccc(cc2)OC(C)C
Chemical ID:
4566513
Name [?]:
3-(4-isopropoxyphenyl)-4-methyl-1-(1-piperidyl)pentan-1-one
SMILES [?]:
CC(C)C(CC(=O)N1CCCCC1)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C20H31NO2/c1-15(2)19(14-20(22)21-12-6-5-7-13-21)17-8-10-18(11-9-17)23-16(3)4/h8-11,15-16,19H,5-7,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,23,11,10,12,15,19,16,18,9,13,5,2,21,14,17,4,6,8,7,20/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:23cCCCCCCONCCCCCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s4;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H31NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.5989
Area:543.757
Solvation:-2.99507
Coulombic:-25.0766
Bond Count [?]
All:24
Single:20
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.466
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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