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Chemical ID: 5326944
Chemical ID:
5326944
Name [?]:
4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)(c4ccc(cc4)Cl)O
InChi [?]:
InChI=1/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,18,22,19,21,13,15,12,16,8,10,7,17,20,5,4,14,23,9,11,24/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCCCCCNCNCCCCCCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21ClN2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5834 |
Area: | 534.342 |
Solvation: | -2.77513 |
Coulombic: | -35.453 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 340.846 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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