Chemical ID: 6450018

CC1CCN(CC1)CCCCCOc2cccc(c2)Cl
Chemical ID:
6450018
Name [?]:
1-[5-(3-chlorophenoxy)pentyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)CCCCCOc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H26ClNO/c1-15-8-11-19(12-9-15)10-3-2-4-13-20-17-7-5-6-16(18)14-17/h5-7,14-15H,2-4,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,16,17,15,3,7,8,4,6,12,19,2,18,14,20,5,13/E:(8,9)(11,12)/rA:20nCCCCNCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26ClNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.1186
Area:536.747
Solvation:-2.30003
Coulombic:-14.853
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.847
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):4.24

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