Chemical ID: 4216423

CC1CCN(CC1)CC(COCc2ccccc2)O
Chemical ID:
4216423
Name [?]:
1-benzyloxy-3-(4-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCN(CC1)CC(COCc2ccccc2)O
InChi [?]:
InChI=1/C16H25NO2/c1-14-7-9-17(10-8-14)11-16(18)13-19-12-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,7,4,6,8,12,10,2,13,9,5,19,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCCNCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.30374
Area:491.956
Solvation:-4.99516
Coulombic:-30.503
Bond Count [?]
All:20
Single:17
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.375
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.28
LogP (Chemaxon):2.45

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Descriptor Annotations

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