Chemical ID: 7042760

Cc1cccc(c1)OCC(CN2CCCC(C2)C)O
Chemical ID:
7042760
Name [?]:
1-(3-methylphenoxy)-3-(3-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CN2CCCC(C2)C)O
InChi [?]:
InChI=1/C16H25NO2/c1-13-5-3-7-16(9-13)19-12-15(18)11-17-8-4-6-14(2)10-17/h3,5,7,9,14-15,18H,4,6,8,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,14,3,15,5,13,7,17,11,9,2,16,10,6,12,19,8/rA:19cCCCCCCCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO2
All Atoms:44
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:7.62958
Area:483.278
Solvation:-4.45236
Coulombic:-29.6325
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.375
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):2.99

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Descriptor Annotations

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