1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine

C47H93N3 — CID 57161777

IUPAC1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine
SMILESCCCCCCCCCCCCCC(C1CC(C)(C)N(C)C(C)(C)C1)(C1CC(C)(C)N(C)C(C)(C)C1)C(CC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C47H93N3/c1-18-20-21-22-23-24-25-26-27-28-29-30-47(38-33-43(7,8)49(16)44(9,10)34-38,39-35-45(11,12)50(17)46(13,14)36-39)40(19-2)37-31-41(3,4)48(15)42(5,6)32-37/h37-40H,18-36H2,1-17H3
InChIKeyNXBPPCCGXADRMG-UHFFFAOYSA-N
MW700.28 g/mol
LogP13.40
Rot. Bonds17

About 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine

1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine (PubChem CID 57161777) has the molecular formula C47H93N3 and a molecular weight of 700.28 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine
PubChem CID57161777
Molecular FormulaC47H93N3
Molecular Weight700.28 g/mol
Exact Mass699.74
IUPAC Name1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine
SMILESCCCCCCCCCCCCCC(C1CC(C)(C)N(C)C(C)(C)C1)(C1CC(C)(C)N(C)C(C)(C)C1)C(CC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C47H93N3/c1-18-20-21-22-23-24-25-26-27-28-29-30-47(38-33-43(7,8)49(16)44(9,10)34-38,39-35-45(11,12)50(17)46(13,14)36-39)40(19-2)37-31-41(3,4)48(15)42(5,6)32-37/h37-40H,18-36H2,1-17H3
InChIKeyNXBPPCCGXADRMG-UHFFFAOYSA-N
XLogP13.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.28
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine (CID 57161777) is 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine is CCCCCCCCCCCCCC(C1CC(C)(C)N(C)C(C)(C)C1)(C1CC(C)(C)N(C)C(C)(C)C1)C(CC)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine?
The InChIKey is NXBPPCCGXADRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H93N3/c1-18-20-21-22-23-24-25-26-27-28-29-30-47(38-33-43(7,8)49(16)44(9,10)34-38,39-35-45(11,12)50(17)46(13,14)36-39)40(19-2)37-31-41(3,4)48(15)42(5,6)32-37/h37-40H,18-36H2,1-17H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine?
1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine has a molecular weight of 700.28 g/mol, XLogP of 13.40, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]tetradecyl]piperidine is sourced from PubChem (CID 57161777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).