1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine

C29H50N2O3 — CID 121248217

IUPAC1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(Oc2ccc(OC3CC(C(C)C)N(O)C(C(C)C)C3)cc2)CC(C(C)C)N1C
InChIInChI=1S/C29H50N2O3/c1-18(2)26-14-24(15-27(19(3)4)30(26)9)33-22-10-12-23(13-11-22)34-25-16-28(20(5)6)31(32)29(17-25)21(7)8/h10-13,18-21,24-29,32H,14-17H2,1-9H3
InChIKeyYIFCTTJEXYKNHU-UHFFFAOYSA-N
MW474.73 g/mol
LogP6.49
Rot. Bonds8

About 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine

1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine (PubChem CID 121248217) has the molecular formula C29H50N2O3 and a molecular weight of 474.73 g/mol. Its IUPAC name is 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine
PubChem CID121248217
Molecular FormulaC29H50N2O3
Molecular Weight474.73 g/mol
Exact Mass474.38
IUPAC Name1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(Oc2ccc(OC3CC(C(C)C)N(O)C(C(C)C)C3)cc2)CC(C(C)C)N1C
InChIInChI=1S/C29H50N2O3/c1-18(2)26-14-24(15-27(19(3)4)30(26)9)33-22-10-12-23(13-11-22)34-25-16-28(20(5)6)31(32)29(17-25)21(7)8/h10-13,18-21,24-29,32H,14-17H2,1-9H3
InChIKeyYIFCTTJEXYKNHU-UHFFFAOYSA-N
XLogP6.49
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine?
The IUPAC name of 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine (CID 121248217) is 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine.
What is the SMILES notation for 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine?
The canonical SMILES for 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine is CC(C)C1CC(Oc2ccc(OC3CC(C(C)C)N(O)C(C(C)C)C3)cc2)CC(C(C)C)N1C.
What is the InChIKey of 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine?
The InChIKey is YIFCTTJEXYKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N2O3/c1-18(2)26-14-24(15-27(19(3)4)30(26)9)33-22-10-12-23(13-11-22)34-25-16-28(20(5)6)31(32)29(17-25)21(7)8/h10-13,18-21,24-29,32H,14-17H2,1-9H3.
What are the key properties of 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine?
1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine has a molecular weight of 474.73 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[4-[1-methyl-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 121248217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).