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Chemical ID: 6657180
Chemical ID:
6657180
Name [?]:
1-benzyl-2,2,6,6-tetramethyl-piperidin-4-ol
SMILES [?]:
CC1(CC(CC(N1Cc2ccccc2)(C)C)O)C
InChi [?]:
InChI=1/C16H25NO/c1-15(2)10-14(18)11-16(3,4)17(15)12-13-8-6-5-7-9-13/h5-9,14,18H,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,15,16,12,11,13,10,14,3,5,8,9,4,2,6,7,17/E:(1,2,3,4)(6,7)(8,9)(10,11)(15,16)/rA:18nCCCCCCNCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;d12;d9s13;s6;s6;s4;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23896 |
Area: | 411.424 |
Solvation: | -2.04665 |
Coulombic: | -23.7902 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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