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Chemical ID: 7085996
Chemical ID:
7085996
Name [?]:
2-[(1-methyl-4-piperidyl)amino]butan-1-ol
SMILES [?]:
CCC(CO)NC1CCN(CC1)C
InChi [?]:
InChI=1/C10H22N2O/c1-3-9(8-13)11-10-4-6-12(2)7-5-10/h9-11,13H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,8,12,9,11,4,3,7,6,10,5/E:(4,5)(6,7)/rA:13cCCCCONCCCNCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H22N2O |
All Atoms: | 35 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.48744 |
Area: | 368.789 |
Solvation: | -2.73228 |
Coulombic: | -29.8538 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 186.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.33 |
LogP (Chemaxon): | 0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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