Chemical ID: 4683256

c1ccc(cc1)CC(=O)N2CCCCC2CO
Chemical ID:
4683256
Name [?]:
1-[2-(hydroxymethyl)-1-piperidyl]-2-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCCCC2CO
InChi [?]:
InChI=1/C14H19NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,3,5,14,11,7,16,4,15,8,10,17,9/E:(2,3)(6,7)/rA:17cCCCCCCCCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.92412
Area:405.609
Solvation:-3.2161
Coulombic:-32.8252
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.57
LogP (Chemaxon):1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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