Chemical ID: 4986353

c1ccc(cc1)CCN2CCCCC2
Chemical ID:
4986353
Name [?]:
1-phenethylpiperidine
SMILES [?]:
c1ccc(cc1)CCN2CCCCC2
InChi [?]:
InChI=1/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
InChi Info:
AuxInfo=1/0/N:1,12,2,6,11,13,3,5,7,10,14,8,4,9/E:(3,4)(5,6)(7,8)(10,11)/rA:14nCCCCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19N
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.54182
Area:381.306
Solvation:-0.990836
Coulombic:-7.32642
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.297
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):2.91

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Experimental Annotations

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Descriptor Annotations

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