Chemical ID: 6660524

CN1CCN(CC1)CC2C3CCC(C3)C2=O
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

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Descriptor Annotations

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