4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine

C36H72N2O — CID 21182098

IUPAC4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine
SMILESCCCC1(CCC)CC(C)CC(CCC)(CCC)N1ON1C(CCC)(CCC)CC(C)CC1(CCC)CCC
InChIInChI=1S/C36H72N2O/c1-11-19-33(20-12-2)27-31(9)28-34(21-13-3,22-14-4)37(33)39-38-35(23-15-5,24-16-6)29-32(10)30-36(38,25-17-7)26-18-8/h31-32H,11-30H2,1-10H3
InChIKeyCQLVRPAVTNZRFY-UHFFFAOYSA-N
MW548.99 g/mol
LogP11.65
Rot. Bonds18

About 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine

4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine (PubChem CID 21182098) has the molecular formula C36H72N2O and a molecular weight of 548.99 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine
PubChem CID21182098
Molecular FormulaC36H72N2O
Molecular Weight548.99 g/mol
Exact Mass548.56
IUPAC Name4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine
SMILESCCCC1(CCC)CC(C)CC(CCC)(CCC)N1ON1C(CCC)(CCC)CC(C)CC1(CCC)CCC
InChIInChI=1S/C36H72N2O/c1-11-19-33(20-12-2)27-31(9)28-34(21-13-3,22-14-4)37(33)39-38-35(23-15-5,24-16-6)29-32(10)30-36(38,25-17-7)26-18-8/h31-32H,11-30H2,1-10H3
InChIKeyCQLVRPAVTNZRFY-UHFFFAOYSA-N
XLogP11.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.99
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine?
The IUPAC name of 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine (CID 21182098) is 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine.
What is the SMILES notation for 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine?
The canonical SMILES for 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine is CCCC1(CCC)CC(C)CC(CCC)(CCC)N1ON1C(CCC)(CCC)CC(C)CC1(CCC)CCC.
What is the InChIKey of 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine?
The InChIKey is CQLVRPAVTNZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2O/c1-11-19-33(20-12-2)27-31(9)28-34(21-13-3,22-14-4)37(33)39-38-35(23-15-5,24-16-6)29-32(10)30-36(38,25-17-7)26-18-8/h31-32H,11-30H2,1-10H3.
What are the key properties of 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine?
4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine has a molecular weight of 548.99 g/mol, XLogP of 11.65, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-2,2,6,6-tetrapropylpiperidin-1-yl)oxy-2,2,6,6-tetrapropylpiperidine is sourced from PubChem (CID 21182098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).