Chemical ID: 4727433

c1ccc(cc1)COC(=O)N2CCCC(C2)CO
Chemical ID:
4727433
Name [?]:
benzyl 3-(hydroxymethyl)piperidine-1-carboxylate
SMILES [?]:
c1ccc(cc1)COC(=O)N2CCCC(C2)CO
InChi [?]:
InChI=1/C14H19NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,14,12,16,17,7,4,15,9,11,18,10,8/E:(2,3)(5,6)/rA:18cCCCCCCCOCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.29482
Area:453.817
Solvation:-3.05061
Coulombic:-47.596
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.76
LogP (Chemaxon):1.88

Name Annotations

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Descriptor Annotations

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