Chemical ID: 5502472

CC(C)N1CCC(CC1)Nc2ccccc2OC
Chemical ID:
5502472
Name [?]:
1-isopropyl-N-(2-methoxyphenyl)-piperidin-4-amine
SMILES [?]:
CC(C)N1CCC(CC1)Nc2ccccc2OC
InChi [?]:
InChI=1/C15H24N2O/c1-12(2)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)18-3/h4-7,12-13,16H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,13,14,12,15,6,8,5,9,2,7,11,16,10,4,17/E:(1,2)(8,9)(10,11)/rA:18nCCCNCCCCCNCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.39924
Area:449.192
Solvation:-2.83055
Coulombic:-24.9191
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.364
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):2.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue