Chemical ID: 5126276

CCC(=O)C1(CCN(CC1)C)c2cccc(c2)O
Chemical ID:
5126276
Name [?]:
1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidyl]propan-1-one
SMILES [?]:
CCC(=O)C1(CCN(CC1)C)c2cccc(c2)O
InChi [?]:
InChI=1/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,14,13,15,6,10,7,9,17,12,16,3,5,8,18,4/E:(7,8)(9,10)/rA:18nCCCOCCCNCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;s5;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.44679
Area:424.425
Solvation:-3.16385
Coulombic:-28.9332
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.333
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.0
LogP (Chemaxon):2.64

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