Chemical ID: 4963555

CCOC(=O)C1(CCNCC1)c2ccccc2
Chemical ID:
4963555
Name [?]:
ethyl 4-phenylpiperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1(CCNCC1)c2ccccc2
InChi [?]:
InChI=1/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,7,11,8,10,12,4,6,9,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:17nCCOCOCCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s6;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.22092
Area:416.043
Solvation:-2.18014
Coulombic:-29.3226
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):2.1

Name Annotations

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Descriptor Annotations

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