1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine

C25H50N2O2 — CID 18728782

IUPAC1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)N(OCC(C)(C)CON2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C25H50N2O2/c1-19-13-22(5,6)26(23(7,8)14-19)28-17-21(3,4)18-29-27-24(9,10)15-20(2)16-25(27,11)12/h19-20H,13-18H2,1-12H3
InChIKeyBWBGYZMPCVICPM-UHFFFAOYSA-N
MW410.69 g/mol
LogP6.45
Rot. Bonds6

About 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine

1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine (PubChem CID 18728782) has the molecular formula C25H50N2O2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine
PubChem CID18728782
Molecular FormulaC25H50N2O2
Molecular Weight410.69 g/mol
Exact Mass410.39
IUPAC Name1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine
SMILESCC1CC(C)(C)N(OCC(C)(C)CON2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C25H50N2O2/c1-19-13-22(5,6)26(23(7,8)14-19)28-17-21(3,4)18-29-27-24(9,10)15-20(2)16-25(27,11)12/h19-20H,13-18H2,1-12H3
InChIKeyBWBGYZMPCVICPM-UHFFFAOYSA-N
XLogP6.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine (CID 18728782) is 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine is CC1CC(C)(C)N(OCC(C)(C)CON2C(C)(C)CC(C)CC2(C)C)C(C)(C)C1.
What is the InChIKey of 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine?
The InChIKey is BWBGYZMPCVICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O2/c1-19-13-22(5,6)26(23(7,8)14-19)28-17-21(3,4)18-29-27-24(9,10)15-20(2)16-25(27,11)12/h19-20H,13-18H2,1-12H3.
What are the key properties of 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine?
1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine has a molecular weight of 410.69 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxypropoxy]-2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 18728782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).