Chemical ID: 4665726

CC(C)(C(c1ccccc1)N2CCCCC2)C(=O)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue