Chemical ID: 6048439

CC(C)(C)OC(=O)N1CCCCC1CCO
Chemical ID:
6048439
Name [?]:
tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCCCC1CCO
InChi [?]:
InChI=1/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,11,10,12,14,9,15,13,6,2,8,16,7,5/E:(1,2,3)/rA:16cCCCCOCONCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H23NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.72075
Area:412.078
Solvation:-2.58121
Coulombic:-46.2465
Bond Count [?]
All:16
Single:15
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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