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Chemical ID: 5074544
Chemical ID:
5074544
Name [?]:
4-(p-tolyl)piperidin-4-ol
SMILES [?]:
Cc1ccc(cc1)C2(CCNCC2)O
InChi [?]:
InChI=1/C12H17NO/c1-10-2-4-11(5-3-10)12(14)6-8-13-9-7-12/h2-5,13-14H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,9,13,10,12,2,5,8,11,14/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s8s12;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14799 |
Area: | 359.076 |
Solvation: | -1.82892 |
Coulombic: | -27.0738 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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