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Chemical ID: 5502472
Chemical ID:
5502472
Name [?]:
1-isopropyl-N-(2-methoxyphenyl)-piperidin-4-amine
SMILES [?]:
CC(C)N1CCC(CC1)Nc2ccccc2OC
InChi [?]:
InChI=1/C15H24N2O/c1-12(2)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)18-3/h4-7,12-13,16H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,13,14,12,15,6,8,5,9,2,7,11,16,10,4,17/E:(1,2)(8,9)(10,11)/rA:18nCCCNCCCCCNCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39924 |
Area: | 449.192 |
Solvation: | -2.83055 |
Coulombic: | -24.9191 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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