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Chemical ID: 4665726
Chemical ID:
4665726
Name [?]:
2,2-dimethyl-3-phenyl-3-(1-piperidyl)propanoic acid
SMILES [?]:
CC(C)(C(c1ccccc1)N2CCCCC2)C(=O)O
InChi [?]:
InChI=1/C16H23NO2/c1-16(2,15(18)19)14(13-9-5-3-6-10-13)17-11-7-4-8-12-17/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,8,14,7,9,13,15,6,10,12,16,5,4,17,2,11,18,19/E:(1,2)(5,6)(7,8)(9,10)(11,12)(18,19)/rA:19cCCCCCCCCCCNCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;s11;s12;s13;s14;s11s15;s2;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.63271 |
Area: | 420.884 |
Solvation: | -1.88939 |
Coulombic: | -34.0885 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.77 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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