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Chemical ID: 6193926
Chemical ID:
6193926
Name [?]:
1-(4-isopropylphenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCCCN1CC(COc2ccc(cc2)C(C)C)O
InChi [?]:
InChI=1/C18H29NO2/c1-14(2)16-7-9-18(10-8-16)21-13-17(20)12-19-11-5-4-6-15(19)3/h7-10,14-15,17,20H,4-6,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,4,5,3,14,16,13,17,6,8,10,18,2,15,9,12,7,21,11/E:(1,2)(7,8)(9,10)/rA:21cCCCCCCNCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.61037 |
Area: | 520.087 |
Solvation: | -4.39181 |
Coulombic: | -30.0988 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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