Chemical ID: 4193609

c1cc(cnc1)CN2CCN(CC2)Cc3ccc(cc3)Cl
Chemical ID:
4193609
Name [?]:
1-[(4-chlorophenyl)methyl]-4-(3-pyridylmethyl)piperazine
SMILES [?]:
c1cc(cnc1)CN2CCN(CC2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H20ClN3/c18-17-5-3-15(4-6-17)13-20-8-10-21(11-9-20)14-16-2-1-7-19-12-16/h1-7,12H,8-11,13-14H2
InChi Info:
AuxInfo=1/0/N:1,2,16,20,17,19,6,10,12,9,13,4,14,7,15,3,18,21,5,11,8/E:(3,4)(5,6)(8,9)(10,11)/rA:21nCCCCNCCNCCNCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20ClN3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.2477
Area:511.911
Solvation:-2.55009
Coulombic:-16.1478
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.814
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.5
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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