Chemical ID: 5143913

CC(c1ccncc1)N2CCCCC2C(=O)O
Chemical ID:
5143913
Name [?]:
1-[1-(4-pyridyl)ethyl]piperidine-2-carboxylic acid
SMILES [?]:
CC(c1ccncc1)N2CCCCC2C(=O)O
InChi [?]:
InChI=1/C13H18N2O2/c1-10(11-5-7-14-8-6-11)15-9-3-2-4-12(15)13(16)17/h5-8,10,12H,2-4,9H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,4,8,5,7,10,2,3,14,15,6,9,16,17/E:(5,6)(7,8)(16,17)/rA:17cCCCCCNCCNCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:7.18551
Area:380.637
Solvation:-2.33042
Coulombic:-37.3681
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.294
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.4
LogP (Chemaxon):-1.17

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