Chemical ID: 5593967

c1cc(cc(c1)Br)OCC(CN2CCCC(C2)O)O
Chemical ID:
5593967
Name [?]:
1-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperidin-3-ol
SMILES [?]:
c1cc(cc(c1)Br)OCC(CN2CCCC(C2)O)O
InChi [?]:
InChI=1/C14H20BrNO3/c15-11-3-1-5-14(7-11)19-10-13(18)9-16-6-2-4-12(17)8-16/h1,3,5,7,12-13,17-18H,2,4,6,8-10H2
InChi Info:
AuxInfo=1/0/N:1,14,6,15,2,13,4,17,11,9,5,16,10,3,7,12,18,19,8/rA:19cCCCCCCBrOCCCNCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20BrNO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:5.80915
Area:483.632
Solvation:-6.28164
Coulombic:-44.2721
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.218
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):2.15

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