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Chemical ID: 4772212
Chemical ID:
4772212
Name [?]:
1-benzyl-3-methyl-piperazine
SMILES [?]:
CC1CN(CCN1)Cc2ccccc2
InChi [?]:
InChI=1/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,6,5,3,8,2,9,7,4/E:(3,4)(5,6)/rA:14cCCCNCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.31103 |
Area: | 369.454 |
Solvation: | -1.92533 |
Coulombic: | -14.4577 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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