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-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine (PubChem CID 160579749) has the molecular formula C216H337N27O9S
and a molecular weight of 3488.32 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-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine.
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-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;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;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine (CID 160579749) 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-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;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;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;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;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine is C1CCC2(CC1)CCNCC2.C1CCC2NCCCC2C1.C1CCN(C2CCNCC2)CC1.C1CCNCC1.CC(=O)C1CCNCC1.CC(C)C(=O)NC1CCNCC1.CC(C)N1CCNCC1.CC1CNCC(C)O1.CCN(CC)C1CCNCC1.N#CC1CCNCC1.O=C(CN1CCNCC1)N1CCCCC1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(CN2CCCNCC2)cc1.c1ccc(CN2CCNCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.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-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine?
The InChIKey is RBPVHIXWTJCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H18N2.2C12H17N.C12H8OS.C11H21N3O.C11H16N2.2C11H15N.C10H20N2.C10H19N.C9H18N2O.C9H20N2.C9H17N.C9H10O.C9H10.C8H8O.C7H16N2.C7H13NO.C7H6O2.C6H10N2.C6H13NO.C5H11N/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;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;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;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;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;1-2-4-7-6(3-1)8-5-9-7;7-5-6-1-3-8-4-2-6;1-5-3-7-4-6(2)8-5;1-2-4-6-5-3-1/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;2*1,3-4,7-8H,2,5-6,9-10H2;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;1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;7-8H,3-6H2,1-2H3;7-8H,2-5H2,1H3;1-4H,5H2;6,8H,1-4H2;5-7H,3-4H2,1-2H3;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;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;1,3-benzodioxole;1-benzyl-1,4-diazepane;1-benzylpiperazine;1-benzylpiperidine;4-benzylpiperidine;N,N-diethylpiperidin-4-amine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine has a molecular weight of 3488.32 g/mol, XLogP of 36.21, 23 rotatable bonds, 15 hydrogen bond donors, and 35 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-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;2-methyl-N-piperidin-4-ylpropanamide;phenoxathiine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;piperidine;piperidine-4-carbonitrile;1-piperidin-4-ylethanone;1-piperidin-4-ylpiperidine;1-propan-2-ylpiperazine is sourced from PubChem (CID 160579749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).