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Chemical ID: 3963765
Chemical ID:
3963765
Name [?]:
1-(3-pyridylmethyl)piperazine
SMILES [?]:
c1cc(cnc1)CN2CCNCC2
InChi [?]:
InChI=1/C10H15N3/c1-2-10(8-12-3-1)9-13-6-4-11-5-7-13/h1-3,8,11H,4-7,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,12,9,13,4,7,3,11,5,8/E:(4,5)(6,7)/rA:13nCCCCNCCNCCNCC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15N3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61517 |
Area: | 346.422 |
Solvation: | -2.04537 |
Coulombic: | -17.8761 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.246 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.07 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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