Chemical ID: 4173980

Cc1ccccc1OCCCN2CCCCC2
Chemical ID:
4173980
Name [?]:
1-[3-(2-methylphenoxy)propyl]piperidine
SMILES [?]:
Cc1ccccc1OCCCN2CCCCC2
InChi [?]:
InChI=1/C15H23NO/c1-14-8-3-4-9-15(14)17-13-7-12-16-10-5-2-6-11-16/h3-4,8-9H,2,5-7,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,4,5,14,16,10,3,6,13,17,11,9,2,7,12,8/E:(5,6)(10,11)/rA:17nCCCCCCCOCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.84418
Area:445.764
Solvation:-2.29993
Coulombic:-13.8865
Bond Count [?]
All:18
Single:15
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.349
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.24
LogP (Chemaxon):3.01

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