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Chemical ID: 7512748
Chemical ID:
7512748
Name [?]:
3-methyl-1-(1-phenethyl-4-piperidyl)-piperidine
SMILES [?]:
CC1CCCN(C1)C2CCN(CC2)CCc3ccccc3
InChi [?]:
InChI=1/C19H30N2/c1-17-6-5-12-21(16-17)19-10-14-20(15-11-19)13-9-18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,4,3,17,21,15,9,13,5,14,10,12,7,2,16,8,11,6/E:(3,4)(7,8)(10,11)(14,15)/rA:21cCCCCCNCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2 |
All Atoms: | 51 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1337 |
Area: | 506.181 |
Solvation: | -1.52083 |
Coulombic: | -12.3237 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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