1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine

C161H257N21O9S2 — CID 159171714

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine (PubChem CID 159171714) has the molecular formula C161H257N21O9S2 and a molecular weight of 2695.10 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;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;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine
• PubChem CID: 159171714
• Molecular Formula: C161H257N21O9S2
• Molecular Weight: 2695.10 g/mol
• Exact Mass: 2692.97
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine
• SMILES: C1CC(N2CCOCC2)CCN1.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CSCCN1.C1CSCCN1.CC(C)N1CCNCC1.CC1CNCC(C)O1.N#CC1CCNCC1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(CN2CCOCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C12H17NO.C12H17N.C12H16.C11H21N3O.C11H16N2.C11H15NO.C11H15N.C10H13NO.C10H19N.C9H18N2O.C9H17N.C8H8O2.C8H8O.C7H16N2.C6H10N2.C6H13NO.2C4H9NS/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;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;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;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;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;1-7(2)9-5-3-8-4-6-9;7-5-6-1-3-8-4-2-6;1-5-3-7-4-6(2)8-5;2*1-3-6-4-2-5-1/h1-5H,6-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;12H,1-10H2;1-5,12H,6-10H2;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;1-5H,6-9H2;11H,1-9H2;9-10H,1-8H2;8-10H,1-7H2;1-4H,5-6H2;1-4H,5-6H2;7-8H,3-6H2,1-2H3;6,8H,1-4H2;5-7H,3-4H2,1-2H3;2*5H,1-4H2
• InChIKey: KLTQNHHXBBDOFC-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 276.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2695.10
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

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-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;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;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine (CID 159171714) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;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;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;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;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine is C1CC(N2CCOCC2)CCN1.C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CSCCN1.C1CSCCN1.CC(C)N1CCNCC1.CC1CNCC(C)O1.N#CC1CCNCC1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCOCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(CN2CCOCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCCO2.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine?

The InChIKey is KLTQNHHXBBDOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H17N.C12H16.C11H21N3O.C11H16N2.C11H15NO.C11H15N.C10H13NO.C10H19N.C9H18N2O.C9H17N.C8H8O2.C8H8O.C7H16N2.C6H10N2.C6H13NO.2C4H9NS/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;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;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;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;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;1-7(2)9-5-3-8-4-6-9;7-5-6-1-3-8-4-2-6;1-5-3-7-4-6(2)8-5;2*1-3-6-4-2-5-1/h1-5H,6-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;12H,1-10H2;1-5,12H,6-10H2;1-5H,6-10H2;1,3-4,7-8H,2,5-6,9-10H2;1-5H,6-9H2;11H,1-9H2;9-10H,1-8H2;8-10H,1-7H2;1-4H,5-6H2;1-4H,5-6H2;7-8H,3-6H2,1-2H3;6,8H,1-4H2;5-7H,3-4H2,1-2H3;2*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;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine?

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;4-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine has a molecular weight of 2695.10 g/mol, XLogP of 23.48, 16 rotatable bonds, 11 hydrogen bond donors, and 31 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-benzylmorpholine;1-benzylpiperazine;4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,6-dimethylmorpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine-4-carbonitrile;4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine;thiomorpholine is sourced from PubChem (CID 159171714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).