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Chemical ID: 6660524
Chemical ID:
6660524
Name [?]:
3-[(4-methylpiperazin-1-yl)methyl]norbornan-2-one
SMILES [?]:
CN1CCN(CC1)CC2C3CCC(C3)C2=O
InChi [?]:
InChI=1/C13H22N2O/c1-14-4-6-15(7-5-14)9-12-10-2-3-11(8-10)13(12)16/h10-12H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,3,7,4,6,14,8,10,13,9,15,2,5,16/E:(4,5)(6,7)/rA:16cCNCCNCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s10s13;s9s13;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.81347 |
Area: | 391.024 |
Solvation: | -2.96213 |
Coulombic: | -15.953 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.18 |
LogP (Chemaxon): | 1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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