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Chemical ID: 5106065
Chemical ID:
5106065
Name [?]:
2-methyl-4-phenyl-piperidine
SMILES [?]:
CC1CC(CCN1)c2ccccc2
InChi [?]:
InChI=1/C12H17N/c1-10-9-12(7-8-13-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,5,6,3,2,8,4,7/E:(3,4)(5,6)/rA:13cCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.82877 |
Area: | 350.081 |
Solvation: | -0.923252 |
Coulombic: | -10.9436 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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