1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine

C53H101N5 — CID 139317273

IUPAC1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
SMILESCN1C(C)(C)CC(C2CC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)N(C)C(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C53H101N5/c1-44(2)24-34(25-45(3,4)54-44)39-23-40(35-30-50(13,14)57(21)51(15,16)31-35)41(36-26-46(5,6)55-47(7,8)27-36)43(37-28-48(9,10)56-49(11,12)29-37)42(39)38-32-52(17,18)58(22)53(19,20)33-38/h34-43,54-56H,23-33H2,1-22H3
InChIKeyLCZDJRLSJLLXRO-UHFFFAOYSA-N
MW808.43 g/mol
LogP11.94
Rot. Bonds5

About 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine

1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine (PubChem CID 139317273) has the molecular formula C53H101N5 and a molecular weight of 808.43 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
PubChem CID139317273
Molecular FormulaC53H101N5
Molecular Weight808.43 g/mol
Exact Mass807.81
IUPAC Name1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine
SMILESCN1C(C)(C)CC(C2CC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)N(C)C(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C53H101N5/c1-44(2)24-34(25-45(3,4)54-44)39-23-40(35-30-50(13,14)57(21)51(15,16)31-35)41(36-26-46(5,6)55-47(7,8)27-36)43(37-28-48(9,10)56-49(11,12)29-37)42(39)38-32-52(17,18)58(22)53(19,20)33-38/h34-43,54-56H,23-33H2,1-22H3
InChIKeyLCZDJRLSJLLXRO-UHFFFAOYSA-N
XLogP11.94
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.43
LogP ≤ 511.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine with MolForge

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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)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine (CID 139317273) is 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine is CN1C(C)(C)CC(C2CC(C3CC(C)(C)NC(C)(C)C3)C(C3CC(C)(C)N(C)C(C)(C)C3)C(C3CC(C)(C)NC(C)(C)C3)C2C2CC(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)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
The InChIKey is LCZDJRLSJLLXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H101N5/c1-44(2)24-34(25-45(3,4)54-44)39-23-40(35-30-50(13,14)57(21)51(15,16)31-35)41(36-26-46(5,6)55-47(7,8)27-36)43(37-28-48(9,10)56-49(11,12)29-37)42(39)38-32-52(17,18)58(22)53(19,20)33-38/h34-43,54-56H,23-33H2,1-22H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine?
1,2,2,6,6-pentamethyl-4-[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine has a molecular weight of 808.43 g/mol, XLogP of 11.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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)-2,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]piperidine is sourced from PubChem (CID 139317273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).