2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine

C41H78N4 — CID 139317604

IUPAC2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine
SMILESCC1(C)CC(C2CC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C41H78N4/c1-34(2)18-26(19-35(3,4)42-34)30-17-31(27-20-36(5,6)43-37(7,8)21-27)33(29-24-40(13,14)45-41(15,16)25-29)32(30)28-22-38(9,10)44-39(11,12)23-28/h26-33,42-45H,17-25H2,1-16H3
InChIKeyDBRLMJLWFOWNBA-UHFFFAOYSA-N
MW627.10 g/mol
LogP9.08
Rot. Bonds4

About 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine

2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine (PubChem CID 139317604) has the molecular formula C41H78N4 and a molecular weight of 627.10 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine
PubChem CID139317604
Molecular FormulaC41H78N4
Molecular Weight627.10 g/mol
Exact Mass626.62
IUPAC Name2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine
SMILESCC1(C)CC(C2CC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C41H78N4/c1-34(2)18-26(19-35(3,4)42-34)30-17-31(27-20-36(5,6)43-37(7,8)21-27)33(29-24-40(13,14)45-41(15,16)25-29)32(30)28-22-38(9,10)44-39(11,12)23-28/h26-33,42-45H,17-25H2,1-16H3
InChIKeyDBRLMJLWFOWNBA-UHFFFAOYSA-N
XLogP9.08
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.10
LogP ≤ 59.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine (CID 139317604) is 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine is CC1(C)CC(C2CC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine?
The InChIKey is DBRLMJLWFOWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H78N4/c1-34(2)18-26(19-35(3,4)42-34)30-17-31(27-20-36(5,6)43-37(7,8)21-27)33(29-24-40(13,14)45-41(15,16)25-29)32(30)28-22-38(9,10)44-39(11,12)23-28/h26-33,42-45H,17-25H2,1-16H3.
What are the key properties of 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine?
2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine has a molecular weight of 627.10 g/mol, XLogP of 9.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-[2,3,4-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentyl]piperidine is sourced from PubChem (CID 139317604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).