Chemical ID: 5086401

c1ccc(c(c1)OCC(CN2CCCCC2)O)Cl
Chemical ID:
5086401
Name [?]:
1-(2-chlorophenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
c1ccc(c(c1)OCC(CN2CCCCC2)O)Cl
InChi [?]:
InChI=1/C14H20ClNO2/c15-13-6-2-3-7-14(13)18-11-12(17)10-16-8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:14,2,1,13,15,3,6,12,16,10,8,9,4,5,18,11,17,7/E:(4,5)(8,9)/rA:18cCCCCCCOCCCNCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.1203
Area:470.355
Solvation:-4.63858
Coulombic:-29.7109
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.767
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.6
LogP (Chemaxon):2.64

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