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Chemical ID: 4665357
Chemical ID:
4665357
Name [?]:
4-(4-chlorophenyl)-1-isopropyl-piperidine
SMILES [?]:
CC(C)N1CCC(CC1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H20ClN/c1-11(2)16-9-7-13(8-10-16)12-3-5-14(15)6-4-12/h3-6,11,13H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,15,12,14,6,8,5,9,2,10,7,13,16,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:16nCCCNCCCCCCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClN |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74144 |
Area: | 429.159 |
Solvation: | -0.987545 |
Coulombic: | -7.48196 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.768 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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