C131H212ClN19O — CID 159425272
1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;1-[2-(cyclopropylmethyl)-4-propan-2-ylphenyl]-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-[2-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylphenyl]piperidin-4-amine;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 159425272) has the molecular formula C131H212ClN19O and a molecular weight of 2104.72 g/mol. Its IUPAC name is 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;1-[2-(cyclopropylmethyl)-4-propan-2-ylphenyl]-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-[2-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylphenyl]piperidin-4-amine;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine.
| Compound Name | 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;1-[2-(cyclopropylmethyl)-4-propan-2-ylphenyl]-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-[2-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylphenyl]piperidin-4-amine;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine |
|---|---|
| PubChem CID | 159425272 |
| Molecular Formula | C131H212ClN19O |
| Molecular Weight | 2104.72 g/mol |
| Exact Mass | 2102.68 |
| IUPAC Name | 1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;1-[2-(cyclopropylmethyl)-4-propan-2-ylphenyl]-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-[2-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylphenyl]piperidin-4-amine;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine |
| SMILES | CC(C)c1ccc(CN2CCNCC2)c(Cl)c1.CC(C)c1ccc(CN2CCNCC2)c(N(C)C)c1.CC(C)c1ccc(CN2CCNCC2)cc1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CC2)c1.CC(C)c1ccc(N2CCC(N(C)C)CC2)c(CC2CCN(C)C2)c1.CNc1cc(C(C)C)ccc1CN1CCNCC1.COc1cc(C(C)C)ccc1CN1CCNCC1.Cc1cc(C(C)C)ccc1CN1CCNCC1 |
| InChI | InChI=1S/C22H37N3.C20H32N2.C16H27N3.C15H25N3.C15H24N2O.C15H24N2.C14H21ClN2.C14H22N2/c1-17(2)19-6-7-22(25-12-9-21(10-13-25)23(3)4)20(15-19)14-18-8-11-24(5)16-18;1-15(2)17-7-8-20(18(14-17)13-16-5-6-16)22-11-9-19(10-12-22)21(3)4;1-13(2)14-5-6-15(16(11-14)18(3)4)12-19-9-7-17-8-10-19;1-12(2)13-4-5-14(15(10-13)16-3)11-18-8-6-17-7-9-18;1-12(2)13-4-5-14(15(10-13)18-3)11-17-8-6-16-7-9-17;1-12(2)14-4-5-15(13(3)10-14)11-17-8-6-16-7-9-17;1-11(2)12-3-4-13(14(15)9-12)10-17-7-5-16-6-8-17;1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h6-7,15,17-18,21H,8-14,16H2,1-5H3;7-8,14-16,19H,5-6,9-13H2,1-4H3;5-6,11,13,17H,7-10,12H2,1-4H3;4-5,10,12,16-17H,6-9,11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;4-5,10,12,16H,6-9,11H2,1-3H3;3-4,9,11,16H,5-8,10H2,1-2H3;3-6,12,15H,7-11H2,1-2H3 |
| InChIKey | LQGQCWVWFCOBSV-UHFFFAOYSA-N |
| XLogP | 22.50 |
| TPSA | 132.32 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2104.72 |
| LogP ≤ 5 | 22.50 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 20 |