Chemical ID: 4954386

Cc1ccccc1OCC(CN2CCCCC2)O
Chemical ID:
4954386
Name [?]:
1-(2-methylphenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
Cc1ccccc1OCC(CN2CCCCC2)O
InChi [?]:
InChI=1/C15H23NO2/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,4,5,14,16,3,6,13,17,11,9,2,10,7,12,18,8/E:(5,6)(9,10)/rA:18cCCCCCCCOCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.08939
Area:458.701
Solvation:-4.37814
Coulombic:-29.4012
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.21
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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