C172H346N22O16 — CID 157228704
1,4-dimethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-4-ol;1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-5-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;(5S)-1-methyl-5-propan-2-ylpiperidin-2-one;(5R)-1-methyl-5-propan-2-ylpiperidin-2-one;(4-methyl-1-propan-2-ylpiperidin-4-yl)methanol;4-(2-methylpropyl)morpholine;4-propan-2-ylmorpholine;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanol;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine (PubChem CID 157228704) has the molecular formula C172H346N22O16 and a molecular weight of 2978.80 g/mol. Its IUPAC name is 1,4-dimethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-4-ol;1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-5-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;(5S)-1-methyl-5-propan-2-ylpiperidin-2-one;(5R)-1-methyl-5-propan-2-ylpiperidin-2-one;(4-methyl-1-propan-2-ylpiperidin-4-yl)methanol;4-(2-methylpropyl)morpholine;4-propan-2-ylmorpholine;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanol;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine.
| Compound Name | 1,4-dimethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-4-ol;1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-5-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;(5S)-1-methyl-5-propan-2-ylpiperidin-2-one;(5R)-1-methyl-5-propan-2-ylpiperidin-2-one;(4-methyl-1-propan-2-ylpiperidin-4-yl)methanol;4-(2-methylpropyl)morpholine;4-propan-2-ylmorpholine;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanol;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine |
|---|---|
| PubChem CID | 157228704 |
| Molecular Formula | C172H346N22O16 |
| Molecular Weight | 2978.80 g/mol |
| Exact Mass | 2976.69 |
| IUPAC Name | 1,4-dimethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-4-ol;1-methyl-4-propan-2-ylpiperidin-2-one;1-methyl-5-propan-2-ylpiperidin-2-one;(4R)-1-methyl-4-propan-2-ylpiperidin-2-one;(4S)-1-methyl-4-propan-2-ylpiperidin-2-one;(5S)-1-methyl-5-propan-2-ylpiperidin-2-one;(5R)-1-methyl-5-propan-2-ylpiperidin-2-one;(4-methyl-1-propan-2-ylpiperidin-4-yl)methanol;4-(2-methylpropyl)morpholine;4-propan-2-ylmorpholine;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;4-propan-2-yl-7-oxa-4-azaspiro[2.5]octane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine-4-carboxylic acid;(1-propan-2-ylpiperidin-4-yl)methanol;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine |
| SMILES | CC(C)C1(C)CCN(C)CC1.CC(C)C1(C)CCNCC1.CC(C)C1(O)CCN(C)CC1.CC(C)C1CCC(=O)N(C)C1.CC(C)C1CCN(C)C(=O)C1.CC(C)CN1CCOCC1.CC(C)N1CCC(C(=O)O)CC1.CC(C)N1CCC(C)(CO)CC1.CC(C)N1CCC(CN2CCOCC2)CC1.CC(C)N1CCC(CO)CC1.CC(C)N1CCC2(CC1)COC2.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)N1CCOCC12CC2.CC(C)[C@@H]1CCC(=O)N(C)C1.CC(C)[C@@H]1CCN(C)C(=O)C1.CC(C)[C@H]1CCC(=O)N(C)C1.CC(C)[C@H]1CCN(C)C(=O)C1 |
| InChI | InChI=1S/C13H26N2O.C10H19NO.C10H21NO.C10H21N.C9H17NO2.C9H17NO.C9H19NO.6C9H17NO.C9H19NO.C9H19N.C8H18N2.C8H17NO.C7H16N2.C7H15NO/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-9(2)11-6-4-10(3,8-12)5-7-11;1-9(2)10(3)5-7-11(4)8-6-10;1-7(2)10-5-3-8(4-6-10)9(11)12;1-8(2)10-5-6-11-7-9(10)3-4-9;1-8(2)9(11)4-6-10(3)7-5-9;3*1-7(2)8-4-5-10(3)9(11)6-8;3*1-7(2)8-4-5-9(11)10(3)6-8;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9(3)4-6-10-7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8/h12-13H,3-11H2,1-2H3;9H,3-8H2,1-2H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H,11,12);8H,3-7H2,1-2H3;8,11H,4-7H2,1-3H3;6*7-8H,4-6H2,1-3H3;8-9,11H,3-7H2,1-2H3;8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;;;;;;2*8-;;2*8-;;;;;;;/m.......10.10......./s1 |
| InChIKey | ATVXUGODLVMNLR-KOMQBFJISA-N |
| XLogP | 25.20 |
| TPSA | 335.42 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 210 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2978.80 |
| LogP ≤ 5 | 25.20 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 31 |