Chemical ID: 4737115

c1cc(c(cc1OCC(CN2CCC(CC2)O)O)Cl)Cl
Chemical ID:
4737115
Name [?]:
1-[3-(3,4-dichlorophenoxy)-2-hydroxy-propyl]piperidin-4-ol
SMILES [?]:
c1cc(c(cc1OCC(CN2CCC(CC2)O)O)Cl)Cl
InChi [?]:
InChI=1/C14H19Cl2NO3/c15-13-2-1-12(7-14(13)16)20-9-11(19)8-17-5-3-10(18)4-6-17/h1-2,7,10-11,18-19H,3-6,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,13,15,12,16,5,10,8,14,9,6,3,4,20,19,11,17,18,7/E:(3,4)(5,6)/rA:20cCCCCCCOCCCNCCCCCOOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s9;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19Cl2NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.07729
Area:520.806
Solvation:-5.94287
Coulombic:-45.0923
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.211
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.2
LogP (Chemaxon):1.99

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