1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine

C44H78N4O4 — CID 139317409

IUPAC1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
SMILESCN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)N(C)C(C)(C)C3)cc2OC2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C44H78N4O4/c1-37(2)21-29(22-38(3,4)45-37)49-33-19-36(52-32-27-43(13,14)48(18)44(15,16)28-32)34(50-30-23-39(5,6)46-40(7,8)24-30)20-35(33)51-31-25-41(9,10)47(17)42(11,12)26-31/h19-20,29-32,45-46H,21-28H2,1-18H3
InChIKeySTLQEQINJKKFJQ-UHFFFAOYSA-N
MW727.13 g/mol
LogP9.12
Rot. Bonds8

About 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine

1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine (PubChem CID 139317409) has the molecular formula C44H78N4O4 and a molecular weight of 727.13 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
PubChem CID139317409
Molecular FormulaC44H78N4O4
Molecular Weight727.13 g/mol
Exact Mass726.60
IUPAC Name1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine
SMILESCN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)N(C)C(C)(C)C3)cc2OC2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C44H78N4O4/c1-37(2)21-29(22-38(3,4)45-37)49-33-19-36(52-32-27-43(13,14)48(18)44(15,16)28-32)34(50-30-23-39(5,6)46-40(7,8)24-30)20-35(33)51-31-25-41(9,10)47(17)42(11,12)26-31/h19-20,29-32,45-46H,21-28H2,1-18H3
InChIKeySTLQEQINJKKFJQ-UHFFFAOYSA-N
XLogP9.12
TPSA67.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.13
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine 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 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine (CID 139317409) is 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine is CN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)N(C)C(C)(C)C3)cc2OC2CC(C)(C)NC(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
The InChIKey is STLQEQINJKKFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78N4O4/c1-37(2)21-29(22-38(3,4)45-37)49-33-19-36(52-32-27-43(13,14)48(18)44(15,16)28-32)34(50-30-23-39(5,6)46-40(7,8)24-30)20-35(33)51-31-25-41(9,10)47(17)42(11,12)26-31/h19-20,29-32,45-46H,21-28H2,1-18H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine?
1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine has a molecular weight of 727.13 g/mol, XLogP of 9.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-2,5-bis[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]piperidine is sourced from PubChem (CID 139317409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).