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Chemical ID: 4178215
Chemical ID:
4178215
Name [?]:
N-[4-(1-piperidylmethyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)CN2CCCCC2
InChi [?]:
InChI=1/C14H20N2O/c1-12(17)15-14-7-5-13(6-8-14)11-16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,7,9,6,10,13,17,11,2,8,5,4,12,3/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCONCCCCCCCNCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14081 |
Area: | 427.439 |
Solvation: | -2.54516 |
Coulombic: | -24.5712 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.89 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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