Chemical ID: 6496443

CC1CCN(C(C1)C)C(=O)c2ccccc2C(=O)O
Chemical ID:
6496443
Name [?]:
2-[(2,4-dimethyl-1-piperidyl)carbonyl]benzoic acid
SMILES [?]:
CC1CCN(C(C1)C)C(=O)c2ccccc2C(=O)O
InChi [?]:
InChI=1/C15H19NO3/c1-10-7-8-16(11(2)9-10)14(17)12-5-3-4-6-13(12)15(18)19/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,13,14,12,15,3,4,7,2,6,11,16,9,17,5,10,18,19/E:(18,19)/rA:19cCCCCNCCCCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s5;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.93496
Area:426.362
Solvation:-2.72409
Coulombic:-44.8352
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.02
LogP (Chemaxon):2.17

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Descriptor Annotations

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