1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine

C213H330N26O12S2 — CID 160549577

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine (PubChem CID 160549577) has the molecular formula C213H330N26O12S2 and a molecular weight of 3511.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine
• PubChem CID: 160549577
• Molecular Formula: C213H330N26O12S2
• Molecular Weight: 3511.29 g/mol
• Exact Mass: 3508.55
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine
• SMILES: C#CC1CCNCC1.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCN(C2CCNCC2)CC1.C1CSCCN1.CC(=O)C1CCNCC1.CC(C)C(=O)NC1CCNCC1.CC(C)N1CCNCC1.CC1CNCC(C)O1.CCN(CC)C1CCNCC1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(CN2CCCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2c(c1)Oc1ccccc1S2
• InChI: InChI=1S/C13H19N.C12H18N2.2C12H17N.C12H8OS.C11H21N3O.C11H16N2.C11H15N.C10H20N2.C10H13NO.C10H19N.C9H18N2O.C9H20N2.C9H17N.C8H8O2.2C8H8O.C7H16N2.C7H13NO.C7H11N.C7H6O2.C6H13NO.C4H9NS/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-2-4-10(5-3-1)11-6-8-12-9-7-11;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;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-7(2)9-5-3-8-4-6-9;1-6(9)7-2-4-8-5-3-7;1-2-7-3-5-8-6-4-7;1-2-4-7-6(3-1)8-5-9-7;1-5-3-7-4-6(2)8-5;1-3-6-4-2-5-1/h1,3-4,7-8H,2,5-6,9-12H2;1-3,5-6,13H,4,7-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1-8H;12H,1-10H2;1-5,12H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;10-11H,1-9H2;1-5H,6-9H2;11H,1-9H2;7-8,10H,3-6H2,1-2H3,(H,11,12);9-10H,3-8H2,1-2H3;8-10H,1-7H2;1-4H,5-6H2;2*1-4H,5-6H2;7-8H,3-6H2,1-2H3;7-8H,2-5H2,1H3;1,7-8H,3-6H2;1-4H,5H2;5-7H,3-4H2,1-2H3;5H,1-4H2
• InChIKey: QXWOAZAXVKMNEI-UHFFFAOYSA-N
• XLogP: 33.62
• TPSA: 350.37 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3511.29
LogP ≤ 5	33.62
H-Bond Donors ≤ 5	15
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-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine (CID 160549577) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine is C#CC1CCNCC1.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCN(C2CCNCC2)CC1.C1CSCCN1.CC(=O)C1CCNCC1.CC(C)C(=O)NC1CCNCC1.CC(C)N1CCNCC1.CC1CNCC(C)O1.CCN(CC)C1CCNCC1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(CN2CCCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2c(c1)Oc1ccccc1S2.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine?

The InChIKey is QXWOAZAXVKMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H18N2.2C12H17N.C12H8OS.C11H21N3O.C11H16N2.C11H15N.C10H20N2.C10H13NO.C10H19N.C9H18N2O.C9H20N2.C9H17N.C8H8O2.2C8H8O.C7H16N2.C7H13NO.C7H11N.C7H6O2.C6H13NO.C4H9NS/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-2-4-10(5-3-1)11-6-8-12-9-7-11;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;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-7(2)9-5-3-8-4-6-9;1-6(9)7-2-4-8-5-3-7;1-2-7-3-5-8-6-4-7;1-2-4-7-6(3-1)8-5-9-7;1-5-3-7-4-6(2)8-5;1-3-6-4-2-5-1/h1,3-4,7-8H,2,5-6,9-12H2;1-3,5-6,13H,4,7-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1-8H;12H,1-10H2;1-5,12H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;10-11H,1-9H2;1-5H,6-9H2;11H,1-9H2;7-8,10H,3-6H2,1-2H3,(H,11,12);9-10H,3-8H2,1-2H3;8-10H,1-7H2;1-4H,5-6H2;2*1-4H,5-6H2;7-8H,3-6H2,1-2H3;7-8H,2-5H2,1H3;1,7-8H,3-6H2;1-4H,5H2;5-7H,3-4H2,1-2H3;5H,1-4H2.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine?

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine has a molecular weight of 3511.29 g/mol, XLogP of 33.62, 23 rotatable bonds, 15 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-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1-benzofuran);2,6-dimethylmorpholine;4-ethynylpiperidine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine;thiomorpholine is sourced from PubChem (CID 160549577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).