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Chemical ID: 5311711
Chemical ID:
5311711
Name [?]:
1-methyl-4-[1-(4-pyridylmethyl)-4-piperidyl]-piperazine
SMILES [?]:
CN1CCN(CC1)C2CCN(CC2)Cc3ccncc3
InChi [?]:
InChI=1/C16H26N4/c1-18-10-12-20(13-11-18)16-4-8-19(9-5-16)14-15-2-6-17-7-3-15/h2-3,6-7,16H,4-5,8-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,20,9,13,17,19,10,12,3,7,4,6,14,15,8,18,2,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCNCCNCCCCCNCCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97587 |
Area: | 473.281 |
Solvation: | -2.85616 |
Coulombic: | -18.5016 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.56 |
LogP (Chemaxon): | 0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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