Chemical ID: 4090386

c1ccc(cc1)OCC(CN2CCCCC2)O
Chemical ID:
4090386
Name [?]:
1-phenoxy-3-(1-piperidyl)propan-2-ol
SMILES [?]:
c1ccc(cc1)OCC(CN2CCCCC2)O
InChi [?]:
InChI=1/C14H21NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2
InChi Info:
AuxInfo=1/0/N:1,14,2,6,13,15,3,5,12,16,10,8,9,4,11,17,7/E:(3,4)(5,6)(7,8)(9,10)/rA:17cCCCCCCOCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.54894
Area:439.647
Solvation:-4.44224
Coulombic:-29.4792
Bond Count [?]
All:18
Single:15
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.98
LogP (Chemaxon):2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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