Chemical ID: 4178767

c1ccc(cc1)C2CCC(CC2)NCCN3CCCCC3
Chemical ID:
4178767
Name [?]:
4-phenyl-N-[2-(1-piperidyl)ethyl]cyclohexan-1-amine
SMILES [?]:
c1ccc(cc1)C2CCC(CC2)NCCN3CCCCC3
InChi [?]:
InChI=1/C19H30N2/c1-3-7-17(8-4-1)18-9-11-19(12-10-18)20-13-16-21-14-5-2-6-15-21/h1,3-4,7-8,18-20H,2,5-6,9-16H2
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,3,5,8,12,9,11,14,17,21,15,4,7,10,13,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:21nCCCCCCCCCCCCNCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.498
Area:517.336
Solvation:-1.43538
Coulombic:-16.6615
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.455
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.75
LogP (Chemaxon):3.63

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Descriptor Annotations

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