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Chemical ID: 4956911
Chemical ID:
4956911
Name [?]:
5-methyl-1-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-4-phenyl-hexan-3-ol
SMILES [?]:
CC(C)C(c1ccccc1)C(CC[N+]2(CCCCC2)C)O
InChi [?]:
InChI=1/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,20,8,17,7,9,16,18,6,10,12,15,19,13,2,5,11,4,14,21/E:(1,2)(6,7)(8,9)(10,11)(13,14)/CRV:20+1/rA:21cCCCCCCCCCCCCCN+CCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;s11;s12;s13;s14;s15;s16;s17;s14s18;s14;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32NO+ |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -15.9387 |
Area: | 497.597 |
Solvation: | -28.3786 |
Coulombic: | 3.87922 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.58 |
LogP (Chemaxon): | -0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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