tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride

C213H277Cl2F3N12O32S — CID 157353997

About tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride

tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride (PubChem CID 157353997) has the molecular formula C213H277Cl2F3N12O32S and a molecular weight of 3677.58 g/mol. Its IUPAC name is tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride
• PubChem CID: 157353997
• Molecular Formula: C213H277Cl2F3N12O32S
• Molecular Weight: 3677.58 g/mol
• Exact Mass: 3673.95
• IUPAC Name: tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(C=O)CC1.CCC(=C(c1ccc(O)cc1)c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(C(OC)OC)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(C=O)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1.COC(OC)C1CCNCC1.COC(OC)C1CCNCC1.COC(OC)C1CCNCC1.COC(OC)OC.Cl.Cl.O=CC1CCNCC1
• InChI: InChI=1S/C45H49N5O4.C35H43NO4.C33H37NO3.C28H27F3O5S.C27H28O3.C11H19NO3.3C8H17NO2.C6H11NO.C4H10O3.2ClH/c1-2-39(32-6-4-3-5-7-32)43(34-10-15-38(51)16-11-34)33-8-12-36(13-9-33)48-22-20-31(21-23-48)29-47-24-26-49(27-25-47)37-14-17-40-35(28-37)30-50(45(40)54)41-18-19-42(52)46-44(41)53;1-4-32(26-10-6-5-7-11-26)34(28-15-19-31(20-16-28)40-33-12-8-9-25-39-33)27-13-17-30(18-14-27)36-23-21-29(22-24-36)35(37-2)38-3;1-2-31(26-8-4-3-5-9-26)33(28-13-17-30(18-14-28)37-32-10-6-7-23-36-32)27-11-15-29(16-12-27)34-21-19-25(24-35)20-22-34;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(16-12-21)35-26-10-6-7-19-34-26)22-13-17-24(18-14-22)36-37(32,33)28(29,30)31;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(28)16-12-21)22-13-17-24(18-14-22)30-26-10-6-7-19-29-26;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;3*1-10-8(11-2)7-3-5-9-6-4-7;8-5-6-1-3-7-4-2-6;1-5-4(6-2)7-3;;/h3-17,28,31,41,51H,2,18-27,29-30H2,1H3,(H,46,52,53);5-7,10-11,13-20,29,33,35H,4,8-9,12,21-25H2,1-3H3;3-5,8-9,11-18,24-25,32H,2,6-7,10,19-23H2,1H3;3-5,8-9,11-18,26H,2,6-7,10,19H2,1H3;3-5,8-9,11-18,26,28H,2,6-7,10,19H2,1H3;8-9H,4-7H2,1-3H3;3*7-9H,3-6H2,1-2H3;5-7H,1-4H2;4H,1-3H3;2*1H
• InChIKey: PLFAMCTXFOGYES-UHFFFAOYSA-N
• XLogP: 40.47
• TPSA: 470.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 55
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3677.58
LogP ≤ 5	40.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride?

The IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride (CID 157353997) is tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride.

What is the SMILES notation for tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride?

The canonical SMILES for tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CCC(=C(c1ccc(O)cc1)c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(O)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(C(OC)OC)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(N2CCC(C=O)CC2)cc1)c1ccccc1.CCC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1.COC(OC)C1CCNCC1.COC(OC)C1CCNCC1.COC(OC)C1CCNCC1.COC(OC)OC.Cl.Cl.O=CC1CCNCC1.

What is the InChIKey of tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride?

The InChIKey is PLFAMCTXFOGYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49N5O4.C35H43NO4.C33H37NO3.C28H27F3O5S.C27H28O3.C11H19NO3.3C8H17NO2.C6H11NO.C4H10O3.2ClH/c1-2-39(32-6-4-3-5-7-32)43(34-10-15-38(51)16-11-34)33-8-12-36(13-9-33)48-22-20-31(21-23-48)29-47-24-26-49(27-25-47)37-14-17-40-35(28-37)30-50(45(40)54)41-18-19-42(52)46-44(41)53;1-4-32(26-10-6-5-7-11-26)34(28-15-19-31(20-16-28)40-33-12-8-9-25-39-33)27-13-17-30(18-14-27)36-23-21-29(22-24-36)35(37-2)38-3;1-2-31(26-8-4-3-5-9-26)33(28-13-17-30(18-14-28)37-32-10-6-7-23-36-32)27-11-15-29(16-12-27)34-21-19-25(24-35)20-22-34;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(16-12-21)35-26-10-6-7-19-34-26)22-13-17-24(18-14-22)36-37(32,33)28(29,30)31;1-2-25(20-8-4-3-5-9-20)27(21-11-15-23(28)16-12-21)22-13-17-24(18-14-22)30-26-10-6-7-19-29-26;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;3*1-10-8(11-2)7-3-5-9-6-4-7;8-5-6-1-3-7-4-2-6;1-5-4(6-2)7-3;;/h3-17,28,31,41,51H,2,18-27,29-30H2,1H3,(H,46,52,53);5-7,10-11,13-20,29,33,35H,4,8-9,12,21-25H2,1-3H3;3-5,8-9,11-18,24-25,32H,2,6-7,10,19-23H2,1H3;3-5,8-9,11-18,26H,2,6-7,10,19H2,1H3;3-5,8-9,11-18,26,28H,2,6-7,10,19H2,1H3;8-9H,4-7H2,1-3H3;3*7-9H,3-6H2,1-2H3;5-7H,1-4H2;4H,1-3H3;2*1H.

What are the key properties of tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride?

tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride has a molecular weight of 3677.58 g/mol, XLogP of 40.47, 55 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-formylpiperidine-1-carboxylate;4-(dimethoxymethyl)-1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine;tris(4-(dimethoxymethyl)piperidine);3-[6-[4-[[1-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenol;1-[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl]piperidine-4-carbaldehyde;[4-[1-[4-(oxan-2-yloxy)phenyl]-2-phenylbut-1-enyl]phenyl] trifluoromethanesulfonate;piperidine-4-carbaldehyde;trimethoxymethane;dihydrochloride is sourced from PubChem (CID 157353997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).