Chemical ID: 4253466

CCOC(=O)C1(CCCNC1)Cc2ccc(cc2)Cl
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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