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Chemical ID: 4253500
Chemical ID:
4253500
Name [?]:
4-(4-chlorophenoxy)piperidine
SMILES [?]:
c1cc(ccc1OC2CCNCC2)Cl
InChi [?]:
InChI=1/C11H14ClNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,9,13,10,12,3,6,8,14,11,7/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCOCCCNCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51073 |
Area: | 381.375 |
Solvation: | -2.02364 |
Coulombic: | -17.5896 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.72 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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