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Chemical ID: 4193609
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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