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Chemical ID: 4122106
Chemical ID:
4122106
Name [?]:
1-(2-phenylacetyl)piperidine-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C14H17NO3/c16-13(10-11-4-2-1-3-5-11)15-8-6-12(7-9-15)14(17)18/h1-5,12H,6-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,14,11,15,7,4,13,8,16,10,9,17,18/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:18nCCCCCCCCONCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53103 |
Area: | 437.52 |
Solvation: | -3.40696 |
Coulombic: | -42.2008 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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