Chemical ID: 6045899

CCCCN1CC(C(C(C1CO)O)O)O
Chemical ID:
6045899
Name [?]:
1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILES [?]:
CCCCN1CC(C(C(C1CO)O)O)O
InChi [?]:
InChI=1/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,6,11,10,7,9,8,5,12,15,13,14/rA:15cCCCCNCCCCCCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s10;s11;s9;s8;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H21NO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:5
ZAP Information [?]
Total:5.0402
Area:398.082
Solvation:-4.91185
Coulombic:-73.0169
Bond Count [?]
All:15
Single:15
Double:0
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.278
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.63
LogP (Chemaxon):-0.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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