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Chemical ID: 4440623
Chemical ID:
4440623
Name [?]:
1-[3-(2,5-dichlorophenoxy)propyl]-3-methyl-piperidine
SMILES [?]:
CC1CCCN(C1)CCCOc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H21Cl2NO/c1-12-4-2-7-18(11-12)8-3-9-19-15-10-13(16)5-6-14(15)17/h5-6,10,12H,2-4,7-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,9,3,15,16,5,8,10,13,7,2,14,17,12,19,18,6,11/rA:19cCCCCCNCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.3821 |
Area: | 512.826 |
Solvation: | -2.43854 |
Coulombic: | -14.355 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.239 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.55 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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