2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine

C24H48N2O2 — CID 18728798

IUPAC2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine
SMILESCC(CON1C(C)(C)CC(C)CC1(C)C)CON1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C24H48N2O2/c1-18-12-21(4,5)25(22(6,7)13-18)27-16-20(3)17-28-26-23(8,9)14-19(2)15-24(26,10)11/h18-20H,12-17H2,1-11H3
InChIKeySVVDAEMUNOWXMB-UHFFFAOYSA-N
MW396.66 g/mol
LogP6.06
Rot. Bonds6

About 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine

2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine (PubChem CID 18728798) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine.

Molecular Properties

Compound Name2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine
PubChem CID18728798
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC Name2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine
SMILESCC(CON1C(C)(C)CC(C)CC1(C)C)CON1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C24H48N2O2/c1-18-12-21(4,5)25(22(6,7)13-18)27-16-20(3)17-28-26-23(8,9)14-19(2)15-24(26,10)11/h18-20H,12-17H2,1-11H3
InChIKeySVVDAEMUNOWXMB-UHFFFAOYSA-N
XLogP6.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine?
The IUPAC name of 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine (CID 18728798) is 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine.
What is the SMILES notation for 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine?
The canonical SMILES for 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine is CC(CON1C(C)(C)CC(C)CC1(C)C)CON1C(C)(C)CC(C)CC1(C)C.
What is the InChIKey of 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine?
The InChIKey is SVVDAEMUNOWXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-18-12-21(4,5)25(22(6,7)13-18)27-16-20(3)17-28-26-23(8,9)14-19(2)15-24(26,10)11/h18-20H,12-17H2,1-11H3.
What are the key properties of 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine?
2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine has a molecular weight of 396.66 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,6-pentamethyl-1-[2-methyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]piperidine is sourced from PubChem (CID 18728798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).