Chemical ID: 4122127

CC1CCN(CC1)c2ccc(cc2Cl)N
Chemical ID:
4122127
Name [?]:
3-chloro-4-(4-methyl-1-piperidyl)-aniline
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2Cl)N
InChi [?]:
InChI=1/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,3,7,4,6,12,2,11,13,8,14,15,5/E:(4,5)(6,7)/rA:15nCCCCNCCCCCCCCClN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17ClN2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.51656
Area:396.338
Solvation:-1.3919
Coulombic:-24.1249
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:224.73
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.41
LogP (Chemaxon):3.1

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Descriptor Annotations

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