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Chemical ID: 7465443
Chemical ID:
7465443
Name [?]:
3-[2-(3-pyridyl)-1-piperidyl]propan-1-amine
SMILES [?]:
c1cc(cnc1)C2CCCCN2CCCN
InChi [?]:
InChI=1/C13H21N3/c14-7-4-10-16-9-2-1-6-13(16)12-5-3-8-15-11-12/h3,5,8,11,13H,1-2,4,6-7,9-10,14H2
InChi Info:
AuxInfo=1/0/N:9,10,1,14,2,8,15,6,11,13,4,3,7,16,5,12/rA:16cCCCCNCCCCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s7s11;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N3 |
All Atoms: | 37 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.07028 |
Area: | 404.507 |
Solvation: | -2.04241 |
Coulombic: | -22.3172 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.326 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.07 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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