Chemical ID: 5326944

c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)(c4ccc(cc4)Cl)O
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

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Descriptor Annotations

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