Chemical ID: 6193926

CC1CCCCN1CC(COc2ccc(cc2)C(C)C)O
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

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Descriptor Annotations

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