1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

C153H235Cl3F7N29O8S — CID 159530465

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(F)(F)c1cccc(N2CCNCC2)n1.CC1NCCNC1=O.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Clc1cc(Cl)cc(N2CCNCC2)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.c1ccc(CC2CCNCC2)cc1.c1cnc(N2CCNCC2)cn1
InChIInChI=1S/2C13H20N2.C12H16ClNO.C12H17N.C11H15F2N3.C11H14FNO.C10H12Cl2N2.C10H12F3N3.C10H12FN.C10H19N.C9H17N.C8H12N4.C7H14N2O.C6H12N2O2.C6H13NO2S.C5H10N2O/c2*1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-11(12,13)9-3-2-4-10(15-9)16-7-5-14-6-8-16;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;11-9-4-3-5-10(8-9)12-6-1-2-7-12;1-2-4-10(5-3-1)6-8-11-9-7-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-11-8(7-10-1)12-5-3-9-4-6-12;1-7(10)9-5-2-3-8-4-6-9;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6;1-4-5(8)7-3-2-6-4/h2*3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-5,12-13H,6-10H2;2-4,14H,5-8H2,1H3;1-3,8,10,13H,4-7H2;5-7,13H,1-4H2;1-3,14H,4-7H2;3-5,8H,1-2,6-7H2;11H,1-9H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8H,2-6H2,1H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3;4,6H,2-3H2,1H3,(H,7,8)
InChIKeyMCXUFYDPGUHCJQ-UHFFFAOYSA-N
MW2880.17 g/mol
LogP21.33
Rot. Bonds17

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 159530465) has the molecular formula C153H235Cl3F7N29O8S and a molecular weight of 2880.17 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID159530465
Molecular FormulaC153H235Cl3F7N29O8S
Molecular Weight2880.17 g/mol
Exact Mass2876.75
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(F)(F)c1cccc(N2CCNCC2)n1.CC1NCCNC1=O.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Clc1cc(Cl)cc(N2CCNCC2)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.c1ccc(CC2CCNCC2)cc1.c1cnc(N2CCNCC2)cn1
InChIInChI=1S/2C13H20N2.C12H16ClNO.C12H17N.C11H15F2N3.C11H14FNO.C10H12Cl2N2.C10H12F3N3.C10H12FN.C10H19N.C9H17N.C8H12N4.C7H14N2O.C6H12N2O2.C6H13NO2S.C5H10N2O/c2*1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-11(12,13)9-3-2-4-10(15-9)16-7-5-14-6-8-16;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;11-9-4-3-5-10(8-9)12-6-1-2-7-12;1-2-4-10(5-3-1)6-8-11-9-7-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-11-8(7-10-1)12-5-3-9-4-6-12;1-7(10)9-5-2-3-8-4-6-9;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6;1-4-5(8)7-3-2-6-4/h2*3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-5,12-13H,6-10H2;2-4,14H,5-8H2,1H3;1-3,8,10,13H,4-7H2;5-7,13H,1-4H2;1-3,14H,4-7H2;3-5,8H,1-2,6-7H2;11H,1-9H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8H,2-6H2,1H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3;4,6H,2-3H2,1H3,(H,7,8)
InChIKeyMCXUFYDPGUHCJQ-UHFFFAOYSA-N
XLogP21.33
TPSA386.24 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002880.17
LogP ≤ 521.33
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 159530465) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(F)(F)c1cccc(N2CCNCC2)n1.CC1NCCNC1=O.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Clc1cc(Cl)cc(N2CCNCC2)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.c1ccc(CC2CCNCC2)cc1.c1cnc(N2CCNCC2)cn1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is MCXUFYDPGUHCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N2.C12H16ClNO.C12H17N.C11H15F2N3.C11H14FNO.C10H12Cl2N2.C10H12F3N3.C10H12FN.C10H19N.C9H17N.C8H12N4.C7H14N2O.C6H12N2O2.C6H13NO2S.C5H10N2O/c2*1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-11(12,13)9-3-2-4-10(15-9)16-7-5-14-6-8-16;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;11-9-4-3-5-10(8-9)12-6-1-2-7-12;1-2-4-10(5-3-1)6-8-11-9-7-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-11-8(7-10-1)12-5-3-9-4-6-12;1-7(10)9-5-2-3-8-4-6-9;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6;1-4-5(8)7-3-2-6-4/h2*3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-5,12-13H,6-10H2;2-4,14H,5-8H2,1H3;1-3,8,10,13H,4-7H2;5-7,13H,1-4H2;1-3,14H,4-7H2;3-5,8H,1-2,6-7H2;11H,1-9H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8H,2-6H2,1H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3;4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 2880.17 g/mol, XLogP of 21.33, 17 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)piperidine;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;bis(1-[1-(4-methylphenyl)ethyl]piperazine);methyl piperazine-1-carboxylate;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 159530465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).