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Chemical ID: 6522446
Chemical ID:
6522446
Name [?]:
[2-(hydroxymethyl)-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCCCC2CO
InChi [?]:
InChI=1/C13H17NO2/c15-10-12-8-4-5-9-14(12)13(16)11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,10,15,4,14,7,9,16,8/E:(2,3)(6,7)/rA:16cCCCCCCCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.86595 |
Area: | 383.756 |
Solvation: | -2.72794 |
Coulombic: | -34.9441 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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