Chemical ID: 6321757

CCc1ccc(cc1)CN2CCN(CC2)C3CC4CCC3C4
Chemical ID:
6321757
Name [?]:
1-[(4-ethylphenyl)methyl]-4-norbornan-2-yl-piperazine
SMILES [?]:
CCc1ccc(cc1)CN2CCN(CC2)C3CC4CCC3C4
InChi [?]:
InChI=1/C20H30N2/c1-2-16-3-5-17(6-4-16)15-21-9-11-22(12-10-21)20-14-18-7-8-19(20)13-18/h3-6,18-20H,2,7-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,19,20,11,15,12,14,22,17,9,3,6,18,21,16,10,13/E:(3,4)(5,6)(9,10)(11,12)/rA:22cCCCCCCCCCNCCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s16s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:11.2641
Area:507.685
Solvation:-1.42801
Coulombic:-12.1984
Bond Count [?]
All:25
Single:22
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.466
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.04
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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