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Chemical ID: 4253304
Chemical ID:
4253304
Name [?]:
N-methyl-2-(4-methylpiperazin-1-yl)-1-phenyl-ethanamine
SMILES [?]:
CNC(CN1CCN(CC1)C)c2ccccc2
InChi [?]:
InChI=1/C14H23N3/c1-15-14(13-6-4-3-5-7-13)12-17-10-8-16(2)9-11-17/h3-7,14-15H,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,15,14,16,13,17,7,9,6,10,4,12,3,2,8,5/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCNCCNCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;s3;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.87365 |
Area: | 430.408 |
Solvation: | -1.88654 |
Coulombic: | -20.1848 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.13 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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