1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine

C37H65N3O5 — CID 121247876

IUPAC1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(Oc2cc(OC3CC(C(C)C)N(O)C(C)(C)C3)cc(OC3CC(C(C)C)N(O)C(C)(C)C3)c2)CC(C)(C)N1C
InChIInChI=1S/C37H65N3O5/c1-23(2)32-17-29(20-35(7,8)38(32)13)43-26-14-27(44-30-18-33(24(3)4)39(41)36(9,10)21-30)16-28(15-26)45-31-19-34(25(5)6)40(42)37(11,12)22-31/h14-16,23-25,29-34,41-42H,17-22H2,1-13H3
InChIKeySYFNEUCFUFROMC-UHFFFAOYSA-N
MW631.94 g/mol
LogP8.03
Rot. Bonds9

About 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine

1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine (PubChem CID 121247876) has the molecular formula C37H65N3O5 and a molecular weight of 631.94 g/mol. Its IUPAC name is 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine
PubChem CID121247876
Molecular FormulaC37H65N3O5
Molecular Weight631.94 g/mol
Exact Mass631.49
IUPAC Name1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(Oc2cc(OC3CC(C(C)C)N(O)C(C)(C)C3)cc(OC3CC(C(C)C)N(O)C(C)(C)C3)c2)CC(C)(C)N1C
InChIInChI=1S/C37H65N3O5/c1-23(2)32-17-29(20-35(7,8)38(32)13)43-26-14-27(44-30-18-33(24(3)4)39(41)36(9,10)21-30)16-28(15-26)45-31-19-34(25(5)6)40(42)37(11,12)22-31/h14-16,23-25,29-34,41-42H,17-22H2,1-13H3
InChIKeySYFNEUCFUFROMC-UHFFFAOYSA-N
XLogP8.03
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.94
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine?
The IUPAC name of 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine (CID 121247876) is 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine.
What is the SMILES notation for 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine?
The canonical SMILES for 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine is CC(C)C1CC(Oc2cc(OC3CC(C(C)C)N(O)C(C)(C)C3)cc(OC3CC(C(C)C)N(O)C(C)(C)C3)c2)CC(C)(C)N1C.
What is the InChIKey of 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine?
The InChIKey is SYFNEUCFUFROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H65N3O5/c1-23(2)32-17-29(20-35(7,8)38(32)13)43-26-14-27(44-30-18-33(24(3)4)39(41)36(9,10)21-30)16-28(15-26)45-31-19-34(25(5)6)40(42)37(11,12)22-31/h14-16,23-25,29-34,41-42H,17-22H2,1-13H3.
What are the key properties of 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine?
1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine has a molecular weight of 631.94 g/mol, XLogP of 8.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[3-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)oxy-5-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl)oxyphenoxy]-2,2-dimethyl-6-propan-2-ylpiperidine is sourced from PubChem (CID 121247876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).