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

C186H287Cl5F4N32O7S — CID 159101617

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

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine (PubChem CID 159101617) has the molecular formula C186H287Cl5F4N32O7S and a molecular weight of 3368.88 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine
• PubChem CID: 159101617
• Molecular Formula: C186H287Cl5F4N32O7S
• Molecular Weight: 3368.88 g/mol
• Exact Mass: 3364.12
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine
• SMILES: C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(=O)N1CCCNCC1.CC(F)(F)c1cccc(N2CCNCC2)c1.CC1NCCNC1=O.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Clc1cccc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.Fc1cccc(N2CCCC2)c1.Fc1cccc(OC2CCNCC2)c1.c1ccc(CC2CCNCC2)cc1.c1cnc(N2CCNCC2)cn1
• InChI: InChI=1S/C13H20N2.2C12H16ClNO.C12H16F2N2.C12H17N.C11H15ClN2.C11H14FNO.C11H16N2.2C10H13ClN2.C10H12FN.C10H19N.C9H18N2.C9H17N.C8H12N4.C8H16N2.C7H14N2O.C6H13NO2S.C5H10N2O/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;2*1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;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;1-2-7-11(6-1)8-9-4-3-5-10-9;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;1-2-6-10(5-1)8-3-4-9-7-8;1-7(10)9-5-2-3-8-4-6-9;1-10(8,9)6-2-4-7-5-3-6;1-4-5(8)7-3-2-6-4/h3-6,12,14H,7-10H2,1-2H3;2*4-5,7,10,14H,2-3,6,8H2,1H3;2-4,9,15H,5-8H2,1H3;1-5,12-13H,6-10H2;6-8,13H,2-5H2,1H3;1-3,8,10,13H,4-7H2;2-5,12H,6-9H2,1H3;1-3,8,12H,4-7H2;1-4,12H,5-8H2;3-5,8H,1-2,6-7H2;11H,1-9H2;9-10H,1-8H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8-9H,1-7H2;8H,2-6H2,1H3;6-7H,2-5H2,1H3;4,6H,2-3H2,1H3,(H,7,8)
• InChIKey: KDIXRWOVHHXKJU-UHFFFAOYSA-N
• XLogP: 27.42
• TPSA: 385.96 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3368.88
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine (CID 159101617) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine is C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCN(C2CCNC2)C1.C1CNC(CN2CCCC2)C1.CC(=O)N1CCCNCC1.CC(F)(F)c1cccc(N2CCNCC2)c1.CC1NCCNC1=O.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Cc1ccc(C(C)N2CCNCC2)cc1.Cc1ccc(N2CCNCC2)cc1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Cc1ccc(OC2CCCNC2)c(Cl)c1.Clc1cccc(N2CCNCC2)c1.Clc1ccccc1N1CCNCC1.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;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine?

The InChIKey is KDIXRWOVHHXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2C12H16ClNO.C12H16F2N2.C12H17N.C11H15ClN2.C11H14FNO.C11H16N2.2C10H13ClN2.C10H12FN.C10H19N.C9H18N2.C9H17N.C8H12N4.C8H16N2.C7H14N2O.C6H13NO2S.C5H10N2O/c1-11-3-5-13(6-4-11)12(2)15-9-7-14-8-10-15;2*1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10;1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;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;1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;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;1-2-7-11(6-1)8-9-4-3-5-10-9;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;1-2-6-10(5-1)8-3-4-9-7-8;1-7(10)9-5-2-3-8-4-6-9;1-10(8,9)6-2-4-7-5-3-6;1-4-5(8)7-3-2-6-4/h3-6,12,14H,7-10H2,1-2H3;2*4-5,7,10,14H,2-3,6,8H2,1H3;2-4,9,15H,5-8H2,1H3;1-5,12-13H,6-10H2;6-8,13H,2-5H2,1H3;1-3,8,10,13H,4-7H2;2-5,12H,6-9H2,1H3;1-3,8,12H,4-7H2;1-4,12H,5-8H2;3-5,8H,1-2,6-7H2;11H,1-9H2;9-10H,1-8H2;8-10H,1-7H2;1-2,7,9H,3-6H2;8-9H,1-7H2;8H,2-6H2,1H3;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;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine?

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylpiperidine;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine has a molecular weight of 3368.88 g/mol, XLogP of 27.42, 22 rotatable bonds, 19 hydrogen bond donors, and 37 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;bis(3-(2-chloro-4-methylphenoxy)piperidine);1-(3-chloro-5-methylphenyl)piperazine;1-(2-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine;1-(1,4-diazepan-1-yl)ethanone;1-[3-(1,1-difluoroethyl)phenyl]piperazine;4-(3-fluorophenoxy)piperidine;1-(3-fluorophenyl)pyrrolidine;1-[1-(4-methylphenyl)ethyl]piperazine;1-(4-methylphenyl)piperazine;3-methylpiperazin-2-one;4-methylsulfonylpiperidine;2-piperazin-1-ylpyrazine;1-(pyrrolidin-2-ylmethyl)pyrrolidine;1-pyrrolidin-3-ylpyrrolidine is sourced from PubChem (CID 159101617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).