Chemical ID: 7332603

CC1CCN(CC1)CCCOc2ccc(cc2Cl)Cl
Chemical ID:
7332603
Name [?]:
1-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)CCCOc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H21Cl2NO/c1-12-5-8-18(9-6-12)7-2-10-19-15-4-3-13(16)11-14(15)17/h3-4,11-12H,2,5-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,14,13,3,7,8,4,6,10,16,2,15,17,12,19,18,5,11/E:(5,6)(8,9)/rA:19nCCCCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21Cl2NO
All Atoms:40
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.3746
Area:514.809
Solvation:-2.49563
Coulombic:-14.2491
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.239
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.76
LogP (Chemaxon):3.91

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Descriptor Annotations

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