butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol

C66H110N2O12 — CID 159097604

IUPACbutyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol
SMILESC=COCCCCO.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC.CCCCOC(=O)C(CC(OCCCCO)ON1C(C)(CC)CC(=O)C(C)C1(C)CC)CC(C)c1ccccc1
InChIInChI=1S/C33H55NO6.C27H43NO4.C6H12O2/c1-8-11-20-39-31(37)28(22-25(4)27-17-13-12-14-18-27)23-30(38-21-16-15-19-35)40-34-32(6,9-2)24-29(36)26(5)33(34,7)10-3;1-8-11-17-31-25(30)24(18-20(4)22-15-13-12-14-16-22)32-28-26(6,9-2)19-23(29)21(5)27(28,7)10-3;1-2-8-6-4-3-5-7/h12-14,17-18,25-26,28,30,35H,8-11,15-16,19-24H2,1-7H3;12-16,20-21,24H,8-11,17-19H2,1-7H3;2,7H,1,3-6H2
InChIKeyKCWDYVWTAQPEQR-UHFFFAOYSA-N
MW1123.61 g/mol
LogP13.82
Rot. Bonds34

About butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol

butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol (PubChem CID 159097604) has the molecular formula C66H110N2O12 and a molecular weight of 1123.61 g/mol. Its IUPAC name is butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol.

Molecular Properties

Compound Namebutyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol
PubChem CID159097604
Molecular FormulaC66H110N2O12
Molecular Weight1123.61 g/mol
Exact Mass1122.81
IUPAC Namebutyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol
SMILESC=COCCCCO.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC.CCCCOC(=O)C(CC(OCCCCO)ON1C(C)(CC)CC(=O)C(C)C1(C)CC)CC(C)c1ccccc1
InChIInChI=1S/C33H55NO6.C27H43NO4.C6H12O2/c1-8-11-20-39-31(37)28(22-25(4)27-17-13-12-14-18-27)23-30(38-21-16-15-19-35)40-34-32(6,9-2)24-29(36)26(5)33(34,7)10-3;1-8-11-17-31-25(30)24(18-20(4)22-15-13-12-14-16-22)32-28-26(6,9-2)19-23(29)21(5)27(28,7)10-3;1-2-8-6-4-3-5-7/h12-14,17-18,25-26,28,30,35H,8-11,15-16,19-24H2,1-7H3;12-16,20-21,24H,8-11,17-19H2,1-7H3;2,7H,1,3-6H2
InChIKeyKCWDYVWTAQPEQR-UHFFFAOYSA-N
XLogP13.82
TPSA170.60 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.61
LogP ≤ 513.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol with MolForge

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Related Compounds

butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;methane
CID 162165990
1-O-butyl 5-O-(3,3,4,4,4-pentafluorobutyl) 4-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2-phenylpropyl)pentanedioate;butyl prop-2-enoate;2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one;3,3,4,4,4-pentafluorobutyl prop-2-enoate
CID 159885526
5-O-butyl 3-O-propyl 1-O-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 1-(6-ethyl-2,2,3,6-tetramethyl-4-oxopiperidin-1-yl)oxy-7-phenyloctane-1,3,5-tricarboxylate
CID 58150305
5-O-butyl 1-O-(2,2,3,3,3-pentafluoropropyl) 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-methyl-4-(2-phenylpropyl)pentanedioate
CID 58150304
1-O-dodecyl 7-O-(2-hydroxyethyl) 6-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-2-(2,2-dimethyl-3-phenylbutyl)-3,3,4,4-tetramethylheptanedioate
CID 143820320
2-ethylhexyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-4,4-dimethyl-5-phenylhexanoate
CID 143820323
3-hydroxypropyl 4-phenyl-2-[(1,1,5-trimethylpiperidin-1-ium-3-yl)methyl]pentanoate
CID 18737452
butyl 2-[(1-hydroxy-2-methylpropan-2-yl)-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylpentanoate
CID 140958039
butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate;methane
CID 159769667
7-O-(2-ethylhexyl) 1-O-(2,2,2-trifluoroethyl) 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxypropan-2-yl]-6-(2,2-dimethyl-3-phenylbutyl)-2,4,4,5,5-pentamethylheptanedioate
CID 143850347
2,6-diethyl-N-methoxy-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-imine
CID 73446136
6-[[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]amino]-6-oxohexanoic acid
CID 21361380

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol?
The IUPAC name of butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol (CID 159097604) is butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol.
What is the SMILES notation for butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol?
The canonical SMILES for butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol is C=COCCCCO.CCCCOC(=O)C(CC(C)c1ccccc1)ON1C(C)(CC)CC(=O)C(C)C1(C)CC.CCCCOC(=O)C(CC(OCCCCO)ON1C(C)(CC)CC(=O)C(C)C1(C)CC)CC(C)c1ccccc1.
What is the InChIKey of butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol?
The InChIKey is KCWDYVWTAQPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55NO6.C27H43NO4.C6H12O2/c1-8-11-20-39-31(37)28(22-25(4)27-17-13-12-14-18-27)23-30(38-21-16-15-19-35)40-34-32(6,9-2)24-29(36)26(5)33(34,7)10-3;1-8-11-17-31-25(30)24(18-20(4)22-15-13-12-14-16-22)32-28-26(6,9-2)19-23(29)21(5)27(28,7)10-3;1-2-8-6-4-3-5-7/h12-14,17-18,25-26,28,30,35H,8-11,15-16,19-24H2,1-7H3;12-16,20-21,24H,8-11,17-19H2,1-7H3;2,7H,1,3-6H2.
What are the key properties of butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol?
butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol has a molecular weight of 1123.61 g/mol, XLogP of 13.82, 34 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(4-hydroxybutoxy)ethyl]-4-phenylpentanoate;butyl 2-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-4-phenylpentanoate;4-ethenoxybutan-1-ol is sourced from PubChem (CID 159097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).