1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline

C203H343N31O9S — CID 160994090

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline (PubChem CID 160994090) has the molecular formula C203H343N31O9S and a molecular weight of 3394.25 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline
• PubChem CID: 160994090
• Molecular Formula: C203H343N31O9S
• Molecular Weight: 3394.25 g/mol
• Exact Mass: 3391.71
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline
• SMILES: C#CC1CCNCC1.C1CC2CNCC1C2.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCCNCC1.C1CCN(C2CCNCC2)CC1.C1CCN(C2CCNCC2)CC1.C1CCNCC1.CC(=O)C1CCNCC1.CC(C)C(=O)NC1CCNCC1.CC(C)N1CCNCC1.CC1CCCNC1.CC1CNCC(C)O1.CCN(CC)C1CCNCC1.CN(C)C(=O)C1CCNCC1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(CN2CCCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)Oc1ccccc1S2.c1cn2c(n1)CCCC2
• InChI: InChI=1S/C12H18N2.C12H8OS.C11H21N3O.C11H16N2.2C10H20N2.C10H19N.C9H18N2O.C9H20N2.C9H17N.C9H11N.C9H10O.C8H16N2O.2C8H8O.C7H10N2.C7H16N2.C7H13NO.C7H13N.C7H11N.C6H13NO.2C6H13N.C5H11N/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;2*1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-2-4-10(5-3-1)6-8-11-9-7-10;1-7(2)9(12)11-8-3-5-10-6-4-8;1-3-11(4-2)9-5-7-10-8-6-9;3*1-2-6-9-8(4-1)5-3-7-10-9;1-10(2)8(11)7-3-5-9-6-4-7;2*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-7(2)9-5-3-8-4-6-9;1-6(9)7-2-4-8-5-3-7;1-2-7-3-6(1)4-8-5-7;1-2-7-3-5-8-6-4-7;1-5-3-7-4-6(2)8-5;1-6-3-2-4-7-5-6;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-3,5-6,13H,4,7-11H2;1-8H;12H,1-10H2;1-5,12H,6-10H2;2*10-11H,1-9H2;11H,1-9H2;7-8,10H,3-6H2,1-2H3,(H,11,12);9-10H,3-8H2,1-2H3;8-10H,1-7H2;1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;7,9H,3-6H2,1-2H3;2*1-4H,5-6H2;4,6H,1-3,5H2;7-8H,3-6H2,1-2H3;7-8H,2-5H2,1H3;6-8H,1-5H2;1,7-8H,3-6H2;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;7H,1-6H2;6H,1-5H2
• InChIKey: TUZZUQURUZMJOZ-UHFFFAOYSA-N
• XLogP: 29.10
• TPSA: 402.01 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3394.25
LogP ≤ 5	29.10
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline (CID 160994090) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline is C#CC1CCNCC1.C1CC2CNCC1C2.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCCNCC1.C1CCN(C2CCNCC2)CC1.C1CCN(C2CCNCC2)CC1.C1CCNCC1.CC(=O)C1CCNCC1.CC(C)C(=O)NC1CCNCC1.CC(C)N1CCNCC1.CC1CCCNC1.CC1CNCC(C)O1.CCN(CC)C1CCNCC1.CN(C)C(=O)C1CCNCC1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(CN2CCCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)Oc1ccccc1S2.c1cn2c(n1)CCCC2.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline?

The InChIKey is TUZZUQURUZMJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C12H8OS.C11H21N3O.C11H16N2.2C10H20N2.C10H19N.C9H18N2O.C9H20N2.C9H17N.C9H11N.C9H10O.C8H16N2O.2C8H8O.C7H10N2.C7H16N2.C7H13NO.C7H13N.C7H11N.C6H13NO.2C6H13N.C5H11N/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;2*1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-2-4-10(5-3-1)6-8-11-9-7-10;1-7(2)9(12)11-8-3-5-10-6-4-8;1-3-11(4-2)9-5-7-10-8-6-9;3*1-2-6-9-8(4-1)5-3-7-10-9;1-10(2)8(11)7-3-5-9-6-4-7;2*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;1-7(2)9-5-3-8-4-6-9;1-6(9)7-2-4-8-5-3-7;1-2-7-3-6(1)4-8-5-7;1-2-7-3-5-8-6-4-7;1-5-3-7-4-6(2)8-5;1-6-3-2-4-7-5-6;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-3,5-6,13H,4,7-11H2;1-8H;12H,1-10H2;1-5,12H,6-10H2;2*10-11H,1-9H2;11H,1-9H2;7-8,10H,3-6H2,1-2H3,(H,11,12);9-10H,3-8H2,1-2H3;8-10H,1-7H2;1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;7,9H,3-6H2,1-2H3;2*1-4H,5-6H2;4,6H,1-3,5H2;7-8H,3-6H2,1-2H3;7-8H,2-5H2,1H3;6-8H,1-5H2;1,7-8H,3-6H2;5-7H,3-4H2,1-2H3;6-7H,2-5H2,1H3;7H,1-6H2;6H,1-5H2.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline?

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline has a molecular weight of 3394.25 g/mol, XLogP of 29.10, 16 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.1]octane;3-azaspiro[5.5]undecane;azepane;1-benzyl-1,4-diazepane;1-benzylpiperazine;N,N-diethylpiperidin-4-amine;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,6-dimethylmorpholine;N,N-dimethylpiperidine-4-carboxamide;4-ethynylpiperidine;3-methylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;1-piperidin-4-ylethanone;bis(1-piperidin-4-ylpiperidine);1-propan-2-ylpiperazine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 160994090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).