Chemical ID: 4736457

CCOC(=O)C1CCN(CC1)Cc2cccc(c2)N
Chemical ID:
4736457
Name [?]:
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)Cc2cccc(c2)N
InChi [?]:
InChI=1/C15H22N2O2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,7,11,8,10,18,12,13,6,17,4,19,9,5,3/E:(6,7)(8,9)/rA:19nCCOCOCCCNCCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.16115
Area:473.001
Solvation:-2.66389
Coulombic:-40.2046
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.347
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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