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

C28H48N2O4 — CID 129060287

IUPAC1-hydroxy-4-[4-[1-hydroxy-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)N1O
InChIInChI=1S/C28H48N2O4/c1-17(2)25-13-23(14-26(18(3)4)29(25)31)33-21-9-11-22(12-10-21)34-24-15-27(19(5)6)30(32)28(16-24)20(7)8/h9-12,17-20,23-28,31-32H,13-16H2,1-8H3
InChIKeyIYTLZPOVFWSEQT-UHFFFAOYSA-N
MW476.70 g/mol
LogP6.25
Rot. Bonds8

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

1-hydroxy-4-[4-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine (PubChem CID 129060287) has the molecular formula C28H48N2O4 and a molecular weight of 476.70 g/mol. Its IUPAC name is 1-hydroxy-4-[4-[1-hydroxy-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-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine
PubChem CID129060287
Molecular FormulaC28H48N2O4
Molecular Weight476.70 g/mol
Exact Mass476.36
IUPAC Name1-hydroxy-4-[4-[1-hydroxy-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)N1O
InChIInChI=1S/C28H48N2O4/c1-17(2)25-13-23(14-26(18(3)4)29(25)31)33-21-9-11-22(12-10-21)34-24-15-27(19(5)6)30(32)28(16-24)20(7)8/h9-12,17-20,23-28,31-32H,13-16H2,1-8H3
InChIKeyIYTLZPOVFWSEQT-UHFFFAOYSA-N
XLogP6.25
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[4-[1-hydroxy-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-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine (CID 129060287) is 1-hydroxy-4-[4-[1-hydroxy-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-hydroxy-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-hydroxy-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)N1O.
What is the InChIKey of 1-hydroxy-4-[4-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine?
The InChIKey is IYTLZPOVFWSEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O4/c1-17(2)25-13-23(14-26(18(3)4)29(25)31)33-21-9-11-22(12-10-21)34-24-15-27(19(5)6)30(32)28(16-24)20(7)8/h9-12,17-20,23-28,31-32H,13-16H2,1-8H3.
What are the key properties of 1-hydroxy-4-[4-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine?
1-hydroxy-4-[4-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine has a molecular weight of 476.70 g/mol, XLogP of 6.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[4-[1-hydroxy-2,6-di(propan-2-yl)piperidin-4-yl]oxyphenoxy]-2,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 129060287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).