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

C156H241Cl2F6N27O9S — CID 158445078

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

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine (PubChem CID 158445078) has the molecular formula C156H241Cl2F6N27O9S and a molecular weight of 2855.78 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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine
• PubChem CID: 158445078
• Molecular Formula: C156H241Cl2F6N27O9S
• Molecular Weight: 2855.78 g/mol
• Exact Mass: 2852.82
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine
• SMILES: C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(F)(F)c1cccc(N2CCNCC2)n1.CC(F)(F)c1cccc(N2CCNCC2)n1.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCOC2)c(Cl)c1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.c1ccc(CC2CCNCC2)cc1.c1cnc(N2CCNCC2)cn1
• InChI: InChI=1S/C13H20N2.C12H15ClO2.C12H15NO.C12H17N.C11H15ClN2.2C11H15F2N3.C11H14FNO.C10H12FN.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;2*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;11-9-4-3-5-10(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;1-7(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;4-5,7,10H,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;2*2-4,14H,5-8H2,1H3;1-3,8,10,13H,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;7-8H,3-6H2,1-2H3;7H,2-5H2,1H3;6-7H,2-5H2,1H3
• InChIKey: HDHGBJFPRRZACL-UHFFFAOYSA-N
• XLogP: 23.11
• TPSA: 371.41 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2855.78
LogP ≤ 5	23.11
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine?

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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine (CID 158445078) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine.

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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine?

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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine is C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(F)(F)c1cccc(N2CCNCC2)n1.CC(F)(F)c1cccc(N2CCNCC2)n1.COC(=O)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(OC2CCCOC2)c(Cl)c1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine?

The InChIKey is HDHGBJFPRRZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C12H15ClO2.C12H15NO.C12H17N.C11H15ClN2.2C11H15F2N3.C11H14FNO.C10H12FN.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;2*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;11-9-4-3-5-10(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;1-7(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;4-5,7,10H,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;2*2-4,14H,5-8H2,1H3;1-3,8,10,13H,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;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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine?

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;3-(2-chloro-4-methylphenoxy)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine has a molecular weight of 2855.78 g/mol, XLogP of 23.11, 19 rotatable bonds, 14 hydrogen bond donors, and 33 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)oxane;1-(3-chloro-5-methylphenyl)piperazine;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;bis(1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperazine);4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;methyl piperazine-1-carboxylate;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-propan-2-ylpiperazine is sourced from PubChem (CID 158445078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).