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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine

C145H227Cl2F4N25O10S — CID 159451466

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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.c1ccc(CC2CCNCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1cnc(N2CCNCC2)cn1
InChIInChI=1S/C13H20N2.C12H16ClNO.C12H15NO.C12H17N.C11H15ClN2.C11H14FNO.C11H15NO2.C10H12F3N3.C10H19N.C9H17N.C8H12N4.C7H14N2O.C7H16N2.C6H12N2O2.C6H13NO2S/c1-11-3-5-13(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;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;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;1-7(2)9-5-3-8-4-6-9;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6/h3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-3,6-7,11H,4-5,8-9H2,(H,13,14);1-5,12-13H,6-10H2;6-8,13H,2-5H2,1H3;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1-3,14H,4-7H2;11H,1-9H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3
InChIKeyLTKXASTVWJOJFJ-UHFFFAOYSA-N
MW2659.54 g/mol
LogP19.91
Rot. Bonds18

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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 159451466) has the molecular formula C145H227Cl2F4N25O10S and a molecular weight of 2659.54 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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID159451466
Molecular FormulaC145H227Cl2F4N25O10S
Molecular Weight2659.54 g/mol
Exact Mass2656.71
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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.c1ccc(CC2CCNCC2)cc1.c1ccc(OCN2CCOCC2)cc1.c1cnc(N2CCNCC2)cn1
InChIInChI=1S/C13H20N2.C12H16ClNO.C12H15NO.C12H17N.C11H15ClN2.C11H14FNO.C11H15NO2.C10H12F3N3.C10H19N.C9H17N.C8H12N4.C7H14N2O.C7H16N2.C6H12N2O2.C6H13NO2S/c1-11-3-5-13(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;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;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;1-7(2)9-5-3-8-4-6-9;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6/h3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-3,6-7,11H,4-5,8-9H2,(H,13,14);1-5,12-13H,6-10H2;6-8,13H,2-5H2,1H3;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1-3,14H,4-7H2;11H,1-9H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3
InChIKeyLTKXASTVWJOJFJ-UHFFFAOYSA-N
XLogP19.91
TPSA364.51 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002659.54
LogP ≤ 519.91
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine with MolForge

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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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 159451466) 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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.FC(F)(F)c1cccc(N2CCNCC2)n1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.c1ccc(CC2CCNCC2)cc1.c1ccc(OCN2CCOCC2)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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is LTKXASTVWJOJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C12H16ClNO.C12H15NO.C12H17N.C11H15ClN2.C11H14FNO.C11H15NO2.C10H12F3N3.C10H19N.C9H17N.C8H12N4.C7H14N2O.C7H16N2.C6H12N2O2.C6H13NO2S/c1-11-3-5-13(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;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-2-4-11(5-3-1)14-10-12-6-8-13-9-7-12;11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16;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;1-7(2)9-5-3-8-4-6-9;1-10-6(9)8-4-2-7-3-5-8;1-10(8,9)6-2-4-7-5-3-6/h3-6,12,14H,7-10H2,1-2H3;4-5,7,10,14H,2-3,6,8H2,1H3;1-3,6-7,11H,4-5,8-9H2,(H,13,14);1-5,12-13H,6-10H2;6-8,13H,2-5H2,1H3;1-3,8,10,13H,4-7H2;1-5H,6-10H2;1-3,14H,4-7H2;11H,1-9H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3.
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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 2659.54 g/mol, XLogP of 19.91, 18 rotatable bonds, 14 hydrogen bond donors, and 32 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-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;4-(3-fluorophenoxy)piperidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;4-(phenoxymethyl)morpholine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine;1-[6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 159451466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).