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Chemical ID: 4253466
Chemical ID:
4253466
Name [?]:
ethyl 3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1(CCCNC1)Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H20ClNO2/c1-2-19-14(18)15(8-3-9-17-11-15)10-12-4-6-13(16)7-5-12/h4-7,17H,2-3,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,14,18,15,17,7,9,12,11,13,16,4,6,19,10,5,3/E:(4,5)(6,7)/rA:19cCCOCOCCCCNCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s6;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.01984 |
Area: | 440.241 |
Solvation: | -1.98619 |
Coulombic: | -29.3936 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.778 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.75 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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