Chemical ID: 4122106

c1ccc(cc1)CC(=O)N2CCC(CC2)C(=O)O
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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