2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen

C146H277N23O12 — CID 157448187

IUPAC2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCN(c1nc(C)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.CCCCN(c1nc(NCCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.CNCCCN(C)CCN(C)CCCNC.COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C43H80N8O3.C32H61N7.C31H48N2O5.C28H52N2O4.C12H30N4.3H2/c1-11-13-26-48(33-29-40(3,4)50(41(5,6)30-33)53-35-21-17-15-18-22-35)38-45-37(44-25-28-52)46-39(47-38)49(27-14-12-2)34-31-42(7,8)51(43(9,10)32-34)54-36-23-19-16-20-24-36;1-14-16-18-38(25-20-29(4,5)36(12)30(6,7)21-25)27-33-24(3)34-28(35-27)39(19-17-15-2)26-22-31(8,9)37(13)32(10,11)23-26;1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24;1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-13-7-5-9-15(3)11-12-16(4)10-6-8-14-2;;;/h33-36,52H,11-32H2,1-10H3,(H,44,45,46,47);25-26H,14-23H2,1-13H3;12-16,23-24H,17-20H2,1-11H3;21-22,29-30H,9-20H2,1-8H3;13-14H,5-12H2,1-4H3;3*1H
InChIKeyBSMBCTWINRBCRB-UHFFFAOYSA-N
MW2546.97 g/mol
LogP27.84
Rot. Bonds55

About 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen

2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen (PubChem CID 157448187) has the molecular formula C146H277N23O12 and a molecular weight of 2546.97 g/mol. Its IUPAC name is 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen.

Molecular Properties

Compound Name2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen
PubChem CID157448187
Molecular FormulaC146H277N23O12
Molecular Weight2546.97 g/mol
Exact Mass2545.18
IUPAC Name2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCN(c1nc(C)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.CCCCN(c1nc(NCCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.CNCCCN(C)CCN(C)CCCNC.COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C43H80N8O3.C32H61N7.C31H48N2O5.C28H52N2O4.C12H30N4.3H2/c1-11-13-26-48(33-29-40(3,4)50(41(5,6)30-33)53-35-21-17-15-18-22-35)38-45-37(44-25-28-52)46-39(47-38)49(27-14-12-2)34-31-42(7,8)51(43(9,10)32-34)54-36-23-19-16-20-24-36;1-14-16-18-38(25-20-29(4,5)36(12)30(6,7)21-25)27-33-24(3)34-28(35-27)39(19-17-15-2)26-22-31(8,9)37(13)32(10,11)23-26;1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24;1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-13-7-5-9-15(3)11-12-16(4)10-6-8-14-2;;;/h33-36,52H,11-32H2,1-10H3,(H,44,45,46,47);25-26H,14-23H2,1-13H3;12-16,23-24H,17-20H2,1-11H3;21-22,29-30H,9-20H2,1-8H3;13-14H,5-12H2,1-4H3;3*1H
InChIKeyBSMBCTWINRBCRB-UHFFFAOYSA-N
XLogP27.84
TPSA329.49 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds55
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.97
LogP ≤ 527.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen?
The IUPAC name of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen (CID 157448187) is 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen.
What is the SMILES notation for 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen?
The canonical SMILES for 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen is CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCN(c1nc(C)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.CCCCN(c1nc(NCCO)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.CNCCCN(C)CCN(C)CCCNC.COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen?
The InChIKey is BSMBCTWINRBCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H80N8O3.C32H61N7.C31H48N2O5.C28H52N2O4.C12H30N4.3H2/c1-11-13-26-48(33-29-40(3,4)50(41(5,6)30-33)53-35-21-17-15-18-22-35)38-45-37(44-25-28-52)46-39(47-38)49(27-14-12-2)34-31-42(7,8)51(43(9,10)32-34)54-36-23-19-16-20-24-36;1-14-16-18-38(25-20-29(4,5)36(12)30(6,7)21-25)27-33-24(3)34-28(35-27)39(19-17-15-2)26-22-31(8,9)37(13)32(10,11)23-26;1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24;1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-13-7-5-9-15(3)11-12-16(4)10-6-8-14-2;;;/h33-36,52H,11-32H2,1-10H3,(H,44,45,46,47);25-26H,14-23H2,1-13H3;12-16,23-24H,17-20H2,1-11H3;21-22,29-30H,9-20H2,1-8H3;13-14H,5-12H2,1-4H3;3*1H.
What are the key properties of 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen?
2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen has a molecular weight of 2546.97 g/mol, XLogP of 27.84, 55 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[butyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2-N,4-N-dibutyl-6-methyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N,N'-dimethyl-N'-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]propane-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 157448187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).