Chemical ID: 5490434

CC(=O)N1CCN(CC1)CC(c2ccccc2)O
Chemical ID:
5490434
Name [?]:
1-[4-(2-hydroxy-2-phenyl-ethyl)piperazin-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCN(CC1)CC(c2ccccc2)O
InChi [?]:
InChI=1/C14H20N2O2/c1-12(17)16-9-7-15(8-10-16)11-14(18)13-5-3-2-4-6-13/h2-6,14,18H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,6,8,5,9,10,2,12,11,7,4,3,18/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCONCCNCCCCCCCCCCO/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.15683
Area:446.926
Solvation:-4.01633
Coulombic:-37.2996
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.6
LogP (Chemaxon):0.67

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