Chemical ID: 4349701

CC1CCN(CC1)CCCCOc2ccc(cc2)Cl
Chemical ID:
4349701
Name [?]:
1-[4-(4-chlorophenoxy)butyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)CCCCOc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H24ClNO/c1-14-8-11-18(12-9-14)10-2-3-13-19-16-6-4-15(17)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,15,17,14,18,3,7,8,4,6,11,2,16,13,19,5,12/E:(4,5)(6,7)(8,9)(11,12)/rA:19nCCCCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.4807
Area:509.991
Solvation:-2.26909
Coulombic:-14.5359
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.821
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):3.85

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Descriptor Annotations

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