Chemical ID: 3957910

CC(=O)N1CCC(CC1)(c2ccc3c(c2)OCO3)O
Chemical ID:
3957910
Name [?]:
1-(4-benzo[1,3]dioxol-5-yl-4-hydroxy-1-piperidyl)ethanone
SMILES [?]:
CC(=O)N1CCC(CC1)(c2ccc3c(c2)OCO3)O
InChi [?]:
InChI=1/C14H17NO4/c1-10(16)15-6-4-14(17,5-7-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,17H,4-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,6,8,5,9,15,17,2,10,13,14,7,4,3,19,18,16/E:(4,5)(6,7)/rA:19nCCONCCCCCCCCCCCOCOO/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.07922
Area:431.362
Solvation:-4.70484
Coulombic:-47.645
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:263.289
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.91
LogP (Chemaxon):0.21

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Descriptor Annotations

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