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Chemical ID: 6384491
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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