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Chemical ID: 4172005
Chemical ID:
4172005
Name [?]:
1-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
SMILES [?]:
c1cc(c(cc1Cl)Cl)CN2CCC(CC2)O
InChi [?]:
InChI=1/C12H15Cl2NO/c13-10-2-1-9(12(14)7-10)8-15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,8H2
InChi Info:
AuxInfo=1/0/N:2,1,12,14,11,15,5,9,3,6,13,4,7,8,10,16/E:(3,4)(5,6)/rA:16nCCCCCCClClCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Cl2NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.365 |
Area: | 430.02 |
Solvation: | -2.38549 |
Coulombic: | -23.1242 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 260.159 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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