Chemical ID: 5004989

CC(C)OC(=O)N1CCCCC1
Chemical ID:
5004989
Name [?]:
isopropyl piperidine-1-carboxylate
SMILES [?]:
CC(C)OC(=O)N1CCCCC1
InChi [?]:
InChI=1/C9H17NO2/c1-8(2)12-9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,12,2,5,7,6,4/E:(1,2)(4,5)(6,7)/rA:12nCCCOCONCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.42606
Area:346.67
Solvation:-1.2407
Coulombic:-29.7967
Bond Count [?]
All:12
Single:11
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.77
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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