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Chemical ID: 6522466
Chemical ID:
6522466
Name [?]:
2-(2-hydroxyethyl)-N-phenyl-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)N2CCCCC2CCO
InChi [?]:
InChI=1/C14H20N2O2/c17-11-9-13-8-4-5-10-16(13)14(18)15-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,16,11,17,4,15,8,7,10,18,9/E:(2,3)(6,7)/rA:18cCCCCCCNCONCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.83024 |
Area: | 434.832 |
Solvation: | -3.04055 |
Coulombic: | -47.5183 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.61 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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