Chemical ID: 4246846

CN1CCC(CC1)OC(=O)Cc2ccccc2
Chemical ID:
4246846
Name [?]:
(1-methyl-4-piperidyl) 2-phenylacetate
SMILES [?]:
CN1CCC(CC1)OC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C14H19NO2/c1-15-9-7-13(8-10-15)17-14(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,4,6,3,7,11,12,5,9,2,10,8/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCNCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.37328
Area:430.538
Solvation:-2.39018
Coulombic:-24.4321
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.17
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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