[2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate

C70H122N4O8 — CID 121244731

IUPAC[2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate
SMILESCC(C)C1CC(C(=O)Oc2cc(OC(=O)C3CC(C(C)C)N(C(C)(C)C)C(C(C)C)C3)c(OC(=O)C3CC(C(C)C)N(C(C)(C)C)C(C(C)C)C3)cc2OC(=O)C2CC(C(C)C)N(C(C)(C)C)C(C(C)C)C2)CC(C(C)C)N1C(C)(C)C
InChIInChI=1S/C70H122N4O8/c1-39(2)51-29-47(30-52(40(3)4)71(51)67(17,18)19)63(75)79-59-37-61(81-65(77)49-33-55(43(9)10)73(69(23,24)25)56(34-49)44(11)12)62(82-66(78)50-35-57(45(13)14)74(70(26,27)28)58(36-50)46(15)16)38-60(59)80-64(76)48-31-53(41(5)6)72(68(20,21)22)54(32-48)42(7)8/h37-58H,29-36H2,1-28H3
InChIKeyMJRWEPZSWCKHBZ-UHFFFAOYSA-N
MW1147.77 g/mol
LogP15.55
Rot. Bonds16

About [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate

[2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate (PubChem CID 121244731) has the molecular formula C70H122N4O8 and a molecular weight of 1147.77 g/mol. Its IUPAC name is [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate
PubChem CID121244731
Molecular FormulaC70H122N4O8
Molecular Weight1147.77 g/mol
Exact Mass1146.93
IUPAC Name[2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate
SMILESCC(C)C1CC(C(=O)Oc2cc(OC(=O)C3CC(C(C)C)N(C(C)(C)C)C(C(C)C)C3)c(OC(=O)C3CC(C(C)C)N(C(C)(C)C)C(C(C)C)C3)cc2OC(=O)C2CC(C(C)C)N(C(C)(C)C)C(C(C)C)C2)CC(C(C)C)N1C(C)(C)C
InChIInChI=1S/C70H122N4O8/c1-39(2)51-29-47(30-52(40(3)4)71(51)67(17,18)19)63(75)79-59-37-61(81-65(77)49-33-55(43(9)10)73(69(23,24)25)56(34-49)44(11)12)62(82-66(78)50-35-57(45(13)14)74(70(26,27)28)58(36-50)46(15)16)38-60(59)80-64(76)48-31-53(41(5)6)72(68(20,21)22)54(32-48)42(7)8/h37-58H,29-36H2,1-28H3
InChIKeyMJRWEPZSWCKHBZ-UHFFFAOYSA-N
XLogP15.55
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001147.77
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate?
The IUPAC name of [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate (CID 121244731) is [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate?
The canonical SMILES for [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate is CC(C)C1CC(C(=O)Oc2cc(OC(=O)C3CC(C(C)C)N(C(C)(C)C)C(C(C)C)C3)c(OC(=O)C3CC(C(C)C)N(C(C)(C)C)C(C(C)C)C3)cc2OC(=O)C2CC(C(C)C)N(C(C)(C)C)C(C(C)C)C2)CC(C(C)C)N1C(C)(C)C.
What is the InChIKey of [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate?
The InChIKey is MJRWEPZSWCKHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H122N4O8/c1-39(2)51-29-47(30-52(40(3)4)71(51)67(17,18)19)63(75)79-59-37-61(81-65(77)49-33-55(43(9)10)73(69(23,24)25)56(34-49)44(11)12)62(82-66(78)50-35-57(45(13)14)74(70(26,27)28)58(36-50)46(15)16)38-60(59)80-64(76)48-31-53(41(5)6)72(68(20,21)22)54(32-48)42(7)8/h37-58H,29-36H2,1-28H3.
What are the key properties of [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate?
[2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate has a molecular weight of 1147.77 g/mol, XLogP of 15.55, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,5-tris[[1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carbonyl]oxy]phenyl] 1-tert-butyl-2,6-di(propan-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 121244731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).