2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine

C28H48N2O2 — CID 121244634

IUPAC2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine
SMILESCC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)NC(C)(C(C)C)C3)cc2)CC(C)(C)N1
InChIInChI=1S/C28H48N2O2/c1-19(2)27(9)17-23(15-25(5,6)29-27)31-21-11-13-22(14-12-21)32-24-16-26(7,8)30-28(10,18-24)20(3)4/h11-14,19-20,23-24,29-30H,15-18H2,1-10H3
InChIKeyGADZODDQUWTUAG-UHFFFAOYSA-N
MW444.70 g/mol
LogP6.33
Rot. Bonds6

About 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine

2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine (PubChem CID 121244634) has the molecular formula C28H48N2O2 and a molecular weight of 444.70 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine.

Molecular Properties

Compound Name2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine
PubChem CID121244634
Molecular FormulaC28H48N2O2
Molecular Weight444.70 g/mol
Exact Mass444.37
IUPAC Name2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine
SMILESCC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)NC(C)(C(C)C)C3)cc2)CC(C)(C)N1
InChIInChI=1S/C28H48N2O2/c1-19(2)27(9)17-23(15-25(5,6)29-27)31-21-11-13-22(14-12-21)32-24-16-26(7,8)30-28(10,18-24)20(3)4/h11-14,19-20,23-24,29-30H,15-18H2,1-10H3
InChIKeyGADZODDQUWTUAG-UHFFFAOYSA-N
XLogP6.33
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine?
The IUPAC name of 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine (CID 121244634) is 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine.
What is the SMILES notation for 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine?
The canonical SMILES for 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine is CC(C)C1(C)CC(Oc2ccc(OC3CC(C)(C)NC(C)(C(C)C)C3)cc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine?
The InChIKey is GADZODDQUWTUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O2/c1-19(2)27(9)17-23(15-25(5,6)29-27)31-21-11-13-22(14-12-21)32-24-16-26(7,8)30-28(10,18-24)20(3)4/h11-14,19-20,23-24,29-30H,15-18H2,1-10H3.
What are the key properties of 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine?
2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine has a molecular weight of 444.70 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-propan-2-yl-4-[4-(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]piperidine is sourced from PubChem (CID 121244634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).