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Chemical ID: 4178660
Chemical ID:
4178660
Name [?]:
2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILES [?]:
CN1CCN(CC1)Cc2ccccc2O
InChi [?]:
InChI=1/C12H18N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h2-5,15H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,3,7,4,6,8,9,14,2,5,15/E:(6,7)(8,9)/rA:15nCNCCNCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26095 |
Area: | 380.582 |
Solvation: | -2.2536 |
Coulombic: | -26.7179 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.01 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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