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Chemical ID: 6623447
Chemical ID:
6623447
Name [?]:
1-benzyl-N-methyl-piperidin-4-amine
SMILES [?]:
CNC1CCN(CC1)Cc2ccccc2
InChi [?]:
InChI=1/C13H20N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,4,8,5,7,9,10,3,2,6/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCNCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15504 |
Area: | 393.045 |
Solvation: | -1.67109 |
Coulombic: | -15.1357 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 204.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.93 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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