Chemical ID: 6384491

CN1CCN(CC1)C(=O)c2ccccc2
Chemical ID:
6384491
Name [?]:
(4-methylpiperazin-1-yl)-phenyl-methanone
SMILES [?]:
CN1CCN(CC1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C12H16N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,7,4,6,10,8,2,5,9/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCNCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.47036
Area:376.833
Solvation:-1.95048
Coulombic:-23.3327
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.21
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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