Chemical ID: 6522446

c1ccc(cc1)C(=O)N2CCCCC2CO
Chemical ID:
6522446
Name [?]:
[2-(hydroxymethyl)-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCCCC2CO
InChi [?]:
InChI=1/C13H17NO2/c15-10-12-8-4-5-9-14(12)13(16)11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,10,15,4,14,7,9,16,8/E:(2,3)(6,7)/rA:16cCCCCCCCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.86595
Area:383.756
Solvation:-2.72794
Coulombic:-34.9441
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.76
LogP (Chemaxon):1.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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