Chemical ID: 4623708

c1cc2c(cc1C(CCN3CCCCC3)O)OCO2
Chemical ID:
4623708
Name [?]:
1-benzo[1,3]dioxol-5-yl-3-(1-piperidyl)propan-1-ol
SMILES [?]:
c1cc2c(cc1C(CCN3CCCCC3)O)OCO2
InChi [?]:
InChI=1/C15H21NO3/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14/h4-5,10,13,17H,1-3,6-9,11H2
InChi Info:
AuxInfo=1/0/N:13,12,14,1,2,8,11,15,9,5,18,6,7,3,4,10,16,19,17/E:(2,3)(7,8)/rA:19cCCCCCCCCCNCCCCCOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;s4;s17;s3s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.81424
Area:462.38
Solvation:-3.74527
Coulombic:-38.5562
Bond Count [?]
All:21
Single:18
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.332
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.15
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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