Chemical ID: 7292847

CC1CCCCN1CC(COc2cc(ccc2Cl)Cl)O
Chemical ID:
7292847
Name [?]:
1-(2,5-dichlorophenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCCCN1CC(COc2cc(ccc2Cl)Cl)O
InChi [?]:
InChI=1/C15H21Cl2NO2/c1-11-4-2-3-7-18(11)9-13(19)10-20-15-8-12(16)5-6-14(15)17/h5-6,8,11,13,19H,2-4,7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,15,16,6,13,8,10,2,14,9,17,12,19,18,7,20,11/rA:20cCCCCCCNCCCOCCCCCCClClO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21Cl2NO2
All Atoms:41
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:8.39706
Area:520.0
Solvation:-4.60295
Coulombic:-29.6289
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.238
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.69
LogP (Chemaxon):3.57

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Descriptor Annotations

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