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Chemical ID: 4178767
Chemical ID:
4178767
Name [?]:
4-phenyl-N-[2-(1-piperidyl)ethyl]cyclohexan-1-amine
SMILES [?]:
c1ccc(cc1)C2CCC(CC2)NCCN3CCCCC3
InChi [?]:
InChI=1/C19H30N2/c1-3-7-17(8-4-1)18-9-11-19(12-10-18)20-13-16-21-14-5-2-6-15-21/h1,3-4,7-8,18-20H,2,5-6,9-16H2
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,3,5,8,12,9,11,14,17,21,15,4,7,10,13,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21nCCCCCCCCCCCCNCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.498 |
Area: | 517.336 |
Solvation: | -1.43538 |
Coulombic: | -16.6615 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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