Chemical ID: 4190231

CC(C12CC3CC(C1)CC(C3)(C2)c4ccc(cc4)Cl)NC5CCN(CC5)C(=O)C
Chemical ID:
4190231
Name [?]:
1-[4-[1-[3-(4-chlorophenyl)-1-adamantyl]ethylamino]-1-piperidyl]ethanone
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)(C2)c4ccc(cc4)Cl)NC5CCN(CC5)C(=O)C
InChi [?]:
InChI=1/C25H35ClN2O/c1-17(27-23-7-9-28(10-8-23)18(2)29)24-12-19-11-20(13-24)15-25(14-19,16-24)21-3-5-22(26)6-4-21/h3-6,17,19-20,23,27H,7-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,14,18,15,17,22,26,23,25,6,4,8,11,9,12,2,27,5,7,13,16,21,3,10,19,20,24,28/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(19,20)/rA:29cCCCCCCCCCCCCCCCCCCClNCCCNCCCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s10;s13;d14;s15;d16;d13s17;s16;s2;s20;s21;s22;s23;s24;s21s25;s24;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H35ClN2O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:13.0285
Area:619.933
Solvation:-2.46978
Coulombic:-26.6498
Bond Count [?]
All:33
Single:29
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.011
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.06
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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