1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine

C227H341FN24O10S — CID 161234994

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine (PubChem CID 161234994) has the molecular formula C227H341FN24O10S and a molecular weight of 3617.45 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine
• PubChem CID: 161234994
• Molecular Formula: C227H341FN24O10S
• Molecular Weight: 3617.45 g/mol
• Exact Mass: 3614.66
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine
• SMILES: C#CC1CCNCC1.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCN(C2CCNCC2)CC1.C1CCNCC1.C1CCNCC1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC1CNCC(C)O1.Fc1cccc(OC2CCNCC2)c1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)Oc1ccccc1S2
• InChI: InChI=1S/2C12H17NO.2C12H17N.C12H8OS.C12H16.C11H14FNO.C11H21N3O.C11H16N2.2C11H15N.C10H20N2.C10H19N.C9H17N.C9H10O.C9H10.2C8H8O.C7H14N2O.C7H16N2.C7H11N.C6H13NO.2C5H11N/c1-3-7-12(8-4-1)14-11-13-9-5-2-6-10-13;1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;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*1-3-7-11(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)6-8-11-9-7-10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-7(10)9-5-2-3-8-4-6-9;1-7(2)9-5-3-8-4-6-9;1-2-7-3-5-8-6-4-7;1-5-3-7-4-6(2)8-5;2*1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;12H,1-10H2;1-5,12H,6-10H2;2*1,3-4,7-8H,2,5-6,9-10H2;10-11H,1-9H2;11H,1-9H2;8-10H,1-7H2;1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;2*1-4H,5-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;1,7-8H,3-6H2;5-7H,3-4H2,1-2H3;2*6H,1-5H2
• InChIKey: UZGBFQWPTMKZCI-UHFFFAOYSA-N
• XLogP: 40.51
• TPSA: 300.01 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3617.45
LogP ≤ 5	40.51
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

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-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine (CID 161234994) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;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;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine is C#CC1CCNCC1.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCN(C2CCNCC2)CC1.C1CCNCC1.C1CCNCC1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC1CNCC(C)O1.Fc1cccc(OC2CCNCC2)c1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.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-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine?

The InChIKey is UZGBFQWPTMKZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17NO.2C12H17N.C12H8OS.C12H16.C11H14FNO.C11H21N3O.C11H16N2.2C11H15N.C10H20N2.C10H19N.C9H17N.C9H10O.C9H10.2C8H8O.C7H14N2O.C7H16N2.C7H11N.C6H13NO.2C5H11N/c1-3-7-12(8-4-1)14-11-13-9-5-2-6-10-13;1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;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*1-3-7-11(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)6-8-11-9-7-10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-7(10)9-5-2-3-8-4-6-9;1-7(2)9-5-3-8-4-6-9;1-2-7-3-5-8-6-4-7;1-5-3-7-4-6(2)8-5;2*1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;12H,1-10H2;1-5,12H,6-10H2;2*1,3-4,7-8H,2,5-6,9-10H2;10-11H,1-9H2;11H,1-9H2;8-10H,1-7H2;1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;2*1-4H,5-6H2;8H,2-6H2,1H3;7-8H,3-6H2,1-2H3;1,7-8H,3-6H2;5-7H,3-4H2,1-2H3;2*6H,1-5H2.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine?

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine has a molecular weight of 3617.45 g/mol, XLogP of 40.51, 21 rotatable bonds, 13 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;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;phenoxathiine;1-(phenoxymethyl)piperidine;4-(2-phenylethyl)morpholine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine is sourced from PubChem (CID 161234994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).