Chemical ID: 4765351

c1ccc(cc1)CCNC2(CCN(CC2)Cc3ccccc3)C#N
Chemical ID:
4765351
Name [?]:
1-benzyl-4-phenethylamino-piperidine-4-carbonitrile
SMILES [?]:
c1ccc(cc1)CCNC2(CCN(CC2)Cc3ccccc3)C#N
InChi [?]:
InChI=1/C21H25N3/c22-18-21(23-14-11-19-7-3-1-4-8-19)12-15-24(16-13-21)17-20-9-5-2-6-10-20/h1-10,23H,11-17H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,7,11,15,8,12,14,16,23,4,17,10,24,9,13/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:24nCCCCCCCCNCCCNCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s10;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8538
Area:560.369
Solvation:-2.15545
Coulombic:-20.9467
Bond Count [?]
All:26
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.443
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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