(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate

C31H60N2O4 — CID 58112264

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
SMILESCCCCCCCCCCCON1C(C)(C)CC(OC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C31H60N2O4/c1-11-12-13-14-15-16-17-18-19-20-35-33-30(6,7)23-26(24-31(33,8)9)37-27(34)36-25-21-28(2,3)32(10)29(4,5)22-25/h25-26H,11-24H2,1-10H3
InChIKeyBOYGTRKKPRKPSK-UHFFFAOYSA-N
MW524.83 g/mol
LogP8.27
Rot. Bonds13

About (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate

(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate (PubChem CID 58112264) has the molecular formula C31H60N2O4 and a molecular weight of 524.83 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
PubChem CID58112264
Molecular FormulaC31H60N2O4
Molecular Weight524.83 g/mol
Exact Mass524.46
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
SMILESCCCCCCCCCCCON1C(C)(C)CC(OC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C31H60N2O4/c1-11-12-13-14-15-16-17-18-19-20-35-33-30(6,7)23-26(24-31(33,8)9)37-27(34)36-25-21-28(2,3)32(10)29(4,5)22-25/h25-26H,11-24H2,1-10H3
InChIKeyBOYGTRKKPRKPSK-UHFFFAOYSA-N
XLogP8.27
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
CID 54571044
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 123159299
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate
CID 90713929
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
CID 122576180
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate (CID 58112264) is (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate is CCCCCCCCCCCON1C(C)(C)CC(OC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate?
The InChIKey is BOYGTRKKPRKPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60N2O4/c1-11-12-13-14-15-16-17-18-19-20-35-33-30(6,7)23-26(24-31(33,8)9)37-27(34)36-25-21-28(2,3)32(10)29(4,5)22-25/h25-26H,11-24H2,1-10H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate has a molecular weight of 524.83 g/mol, XLogP of 8.27, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate is sourced from PubChem (CID 58112264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).