Chemical ID: 6363730

CCN1CCN(CC1)C(=O)c2ccccc2
Chemical ID:
6363730
Name [?]:
(4-ethylpiperazin-1-yl)-phenyl-methanone
SMILES [?]:
CCN1CCN(CC1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C13H18N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,16,4,8,5,7,11,9,3,6,10/E:(4,5)(6,7)(8,9)(10,11)/rA:16nCCNCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.08134
Area:400.807
Solvation:-1.93885
Coulombic:-23.5176
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.295
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.64
LogP (Chemaxon):1.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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