Chemical ID: 6129995

CCCCc1ccccc1OCCN2CCCCC2
Chemical ID:
6129995
Name [?]:
1-[2-(2-butylphenoxy)ethyl]piperidine
SMILES [?]:
CCCCc1ccccc1OCCN2CCCCC2
InChi [?]:
InChI=1/C17H27NO/c1-2-3-9-16-10-5-6-11-17(16)19-15-14-18-12-7-4-8-13-18/h5-6,10-11H,2-4,7-9,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,7,8,16,18,4,6,9,15,19,13,12,5,10,14,11/E:(7,8)(12,13)/rA:19nCCCCCCCCCCOCCNCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.56099
Area:491.277
Solvation:-2.72092
Coulombic:-14.1867
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.402
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.48
LogP (Chemaxon):4.15

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